Quantum dots(QDs),a type of nanoscale semiconductor material with unique optical and electrical properties like adjustable emission and high photoluminescence quantum yields,are suitable for applications in optoelectr...Quantum dots(QDs),a type of nanoscale semiconductor material with unique optical and electrical properties like adjustable emission and high photoluminescence quantum yields,are suitable for applications in optoelectronics.However,QDs are typically degraded under humid and high-temperature circumstances,greatly limiting their practical value.Coating the QD surface with an inorganic silica layer is a feasible method for improving stability and endurance in a variety of applications.This paper comprehensively reviews silica coating methodologies on QD surfaces and explores their applications in optoelectronic domains.Firstly,the paper provides mainstream silica coating approaches,which can be divided into two categories:in-situ hydrolysis of silylating reagents on QD surfaces and template techniques for encapsulation QDs.Subsequently,the recent applications of the silica-coated QDs on optoelectronic fields including light-emitting diodes,solar cells,photodetectors were discussed.Finally,it reviews recent advances in silica-coated QD technology and prospects for future applications.展开更多
In this paper,we present a circuit model of single-quantum-well InGaN/GaN light-emitting diodes based on the standard rate equations.Two rate equations describe carrier transport processes occurring in sep-arate confi...In this paper,we present a circuit model of single-quantum-well InGaN/GaN light-emitting diodes based on the standard rate equations.Two rate equations describe carrier transport processes occurring in sep-arate confinement heterostructure and quantum well respectively,and the third equation describes the varied photons in quantum well.By using the presented model,impacts of quantum well thickness on the static and dynamic performances are investigated.Simulated results show that LED with 4 nm well exhibits better lightcurrent(L-I)performance,but LED with 3 nm well presents wider 3 dB modulation bandwidth.It reveals that high carrier density in quantum well is detrimental to the static performance,but beneficial to the dynamic performance.展开更多
Ultra-thin crystalline silicon stands as a cornerstone material in the foundation of modern micro and nano electronics.Despite the proliferation of various materials including oxide-based,polymer-based,carbon-based,an...Ultra-thin crystalline silicon stands as a cornerstone material in the foundation of modern micro and nano electronics.Despite the proliferation of various materials including oxide-based,polymer-based,carbon-based,and two-dimensional(2D)materials,crystal silicon continues to maintain its stronghold,owing to its superior functionality,scalability,stability,reliability,and uniformity.Nonetheless,the inherent rigidity of the bulk silicon leads to incompatibility with soft tissues,hindering the utilization amid biomedical applications.Because of such issues,decades of research have enabled successful utilization of various techniques to precisely control the thickness and morphology of silicon layers at the scale of several nanometres.This review provides a comprehensive exploration on the features of ultra-thin single crystalline silicon as a semiconducting material,and its role especially among the frontier of advanced bioelectronics.Key processes that enable the transition of rigid silicon to flexible form factors are exhibited,in accordance with their chronological sequence.The inspected stages span both prior and subsequent to transferring the silicon membrane,categorized respectively as on-wafer manufacturing and rigid-to-soft integration.Extensive guidelines to unlock the full potential of flexible electronics are provided through ordered analysis of each manufacturing procedure,the latest findings of biomedical applications,along with practical perspectives for researchers and manufacturers.展开更多
Nuclear magnetic resonance(NMR)spectroscopy is a powerful tool for analyzing molecular structure and composition.However,traditional NMR experiments suffer from long acquisition times,especially in multidimensional NM...Nuclear magnetic resonance(NMR)spectroscopy is a powerful tool for analyzing molecular structure and composition.However,traditional NMR experiments suffer from long acquisition times,especially in multidimensional NMR spectroscopy.This problem,to some extent,limits broader applications of NMR techniques.Various methods have been proposed to accelerate sampling,including non-uniform sampling(NUS),multi-FID acquisition(MFA),Hadamard encoding,Fourier encoding,spatial encoding Ultrafast 2D NMR(UF2DNMR),and so on.The review focuses on rapid sampling methods developed in contemporary China,introducing their fundamental principles and applications while discussing their respective advantages and disadvantages.展开更多
Scalability remains a major challenge in building practical fault-tolerant quantum computers.Currently,the largest number of qubits achieved across leading quantum platforms ranges from hundreds to thousands.In atom a...Scalability remains a major challenge in building practical fault-tolerant quantum computers.Currently,the largest number of qubits achieved across leading quantum platforms ranges from hundreds to thousands.In atom arrays,scalability is primarily constrained by the capacity to generate large numbers of optical tweezers,and conventional techniques using acousto-optic deflectors or spatial light modulators struggle to produce arrays much beyond∼10,000 tweezers.Moreover,these methods require additional microscope objectives to focus the light into micrometer-sized spots,which further complicates system integration and scalability.Here,we demonstrate the experimental generation of an optical tweezer array containing 280×280 spots using a metasurface,nearly an order of magnitude more than most existing systems.The metasurface leverages a large number of subwavelength phase-control pixels to engineer the wavefront of the incident light,enabling both large-scale tweezer generation and direct focusing into micron-scale spots without the need for a microscope.This result shifts the scalability bottleneck for atom arrays from the tweezer generation hardware to the available laser power.Furthermore,the array shows excellent intensity uniformity exceeding 90%,making it suitable for homogeneous single-atom loading and paving the way for trapping arrays of more than 10,000 atoms in the near future.展开更多
TheIndustrial Internet of Things(IIoT)has emerged as a cornerstone of Industry 4.0,enabling large-scale automation and data-driven decision-making across factories,supply chains,and critical infrastructures.However,th...TheIndustrial Internet of Things(IIoT)has emerged as a cornerstone of Industry 4.0,enabling large-scale automation and data-driven decision-making across factories,supply chains,and critical infrastructures.However,the massive interconnection of resource-constrained devices also amplifies the risks of eavesdropping,data tampering,and device impersonation.While digital signatures are indispensable for ensuring authenticity and non-repudiation,conventional schemes such as RSA and ECCare vulnerable to quantumalgorithms,jeopardizing long-termtrust in IIoT deployments.This study proposes a lightweight,stateless,hash-based signature scheme that achieves post-quantum security while addressing the stringent efficiency demands of IIoT.The design introduces two key optimizations:(1)Forest ofRandomSubsets(FORS)onDemand,where subset secret keys are generated dynamically via a PseudoRandom Function(PRF),thereby minimizing storage overhead and eliminating key-reuse risks;and(2)Winternitz One-Time Signature Plus(WOTS+)partial hash-chain caching,which precomputes intermediate hash values at edge gateways,reducing device-side computations,latency,and energy consumption.The architecture integrates a multi-layerMerkle authentication tree(Merkle tree)and role-based delegation across sensors,gateways,and a Signature Authority Center(SAC),supporting scalable cross-site deployment and key rotation.Froma theoretical perspective,we establish a formal(Existential Unforgeability under Chosen Message Attack)EUF-CMA security proof using a game-based reduction framework.The proof demonstrates that any successful forgerymust reduce to breaking the underlying assumptions of PRF indistinguishability,(second)preimage resistance,or collision resistance,thus quantifying adversarial advantage and ensuring unforgeability.On the implementation side,our design achieves a balanced trade-off between postquantum security and lightweight performance,offering concrete deployment guidelines for real-time industrial systems.In summary,the proposed method contributes both practical system design and formal security guarantees,providing IIoT with a deployable signature substrate that enhances resilience against quantum-era threats and supports future extensions such as device attestation,group signatures,and anomaly detection.展开更多
Smart pest control is crucial for building farmresilience andensuringsustainable agriculture inthe faceof climate change and environmental challenges.To achieve effective intelligent monitoring systems,agricultural pe...Smart pest control is crucial for building farmresilience andensuringsustainable agriculture inthe faceof climate change and environmental challenges.To achieve effective intelligent monitoring systems,agricultural pest and disease detectionmust overcome three fundamental challenges:feature degradation in dense vegetation environments,limited detection capability for sub-32×32 pixel targets,and inadequate bounding box regression for irregular pest morphologies.This study proposes YOLOv12-KMA,a novel detection framework that addresses these limitations through four synergistic architectural innovations,specifically optimized for agricultural environments.First,we introduce efficient multi-head attention(C3K2-EMA),which reduces noise interference by 41%through selective regional attention while maintaining O(k⋅n⋅d)computational complexity vs.O(n2⋅d)for standard attention.Second,we develop A2C2f-KAN modules embedding Kolmogorov-Arnold networks(KAN)with B-spline activation functions,achieving 15%better feature representation for small targets without global distortion.Third,we propose minimum point distance intersection over union(MPDIoU)loss that resolves aspect ratio degeneration issues in complete intersection over union(CIoU),accelerating convergence by 23%for irregular pest shapes.Fourth,we implement the dynamic sampling(DySample)module that reduces computational overhead by 72%while preserving 94%feature fidelity compared to conventional interpolation methods.Comprehensive validation on 8742 annotated agricultural images demonstrates significant improvements:2.6 percentage point increase in mean average precision(mAP)@0.5(91.0%→93.6%),3.2 percentage point gain in mAP@0.5:0.95,with precision and recall improvements of 4.8%and 2.4%,respectively.Statistical analysis confirms significance(p<0.001)with large effect sizes(η2=0.78).The optimized architecture maintains real-time performance at 159 frames per second(FPS)on consumer hardware,enabling practical deployment in precision agriculture monitoring systems.展开更多
Accurate blood pressure(BP)monitoring is essential for preventing and managing cardiovascular disease.Advancements in materials science,medicine,flexible electronic,and artificial intelligence(AI)have enabled cuffless...Accurate blood pressure(BP)monitoring is essential for preventing and managing cardiovascular disease.Advancements in materials science,medicine,flexible electronic,and artificial intelligence(AI)have enabled cuffless,unobtrusive BP monitoring systems,offering an alternative to traditional sphygmomanometers.However,extending these advances to real-world cardiovascular care particularly in resource-limited settings remains challenging due to constraints in computational resources,power efficiency,and deployment scalability.This review presents a comprehensive synthesis of AI-enhanced wearable BP monitoring,emphasizing its potential for personalized,scalable,and accessible healthcare.We systematically analyze the end-to-end system architecture,from mechano-electric sensing principles and AI-based estimation models to edge-aware deployment strategies tailored for low-resource environments.We further discuss clinical validation metrics and implementation barriers and prospective strategies.To bridge lab-to-field translation,we propose an innovative"sensor-model-deployment-assessment"co-design framework.This roadmap highlights how AI-enhanced BP technologies can support proactive hypertension control and promote cardiovascular health equity on a global scale.展开更多
The cloud-fog computing paradigm has emerged as a novel hybrid computing model that integrates computational resources at both fog nodes and cloud servers to address the challenges posed by dynamic and heterogeneous c...The cloud-fog computing paradigm has emerged as a novel hybrid computing model that integrates computational resources at both fog nodes and cloud servers to address the challenges posed by dynamic and heterogeneous computing networks.Finding an optimal computational resource for task offloading and then executing efficiently is a critical issue to achieve a trade-off between energy consumption and transmission delay.In this network,the task processed at fog nodes reduces transmission delay.Still,it increases energy consumption,while routing tasks to the cloud server saves energy at the cost of higher communication delay.Moreover,the order in which offloaded tasks are executed affects the system’s efficiency.For instance,executing lower-priority tasks before higher-priority jobs can disturb the reliability and stability of the system.Therefore,an efficient strategy of optimal computation offloading and task scheduling is required for operational efficacy.In this paper,we introduced a multi-objective and enhanced version of Cheeta Optimizer(CO),namely(MoECO),to jointly optimize the computation offloading and task scheduling in cloud-fog networks to minimize two competing objectives,i.e.,energy consumption and communication delay.MoECO first assigns tasks to the optimal computational nodes and then the allocated tasks are scheduled for processing based on the task priority.The mathematical modelling of CO needs improvement in computation time and convergence speed.Therefore,MoECO is proposed to increase the search capability of agents by controlling the search strategy based on a leader’s location.The adaptive step length operator is adjusted to diversify the solution and thus improves the exploration phase,i.e.,global search strategy.Consequently,this prevents the algorithm from getting trapped in the local optimal solution.Moreover,the interaction factor during the exploitation phase is also adjusted based on the location of the prey instead of the adjacent Cheetah.This increases the exploitation capability of agents,i.e.,local search capability.Furthermore,MoECO employs a multi-objective Pareto-optimal front to simultaneously minimize designated objectives.Comprehensive simulations in MATLAB demonstrate that the proposed algorithm obtains multiple solutions via a Pareto-optimal front and achieves an efficient trade-off between optimization objectives compared to baseline methods.展开更多
Over the past decade,the landscape of cybersecurity has been increasingly shaped by the growing sophistication and frequency of malware attacks.Traditional detection techniques,while still in use,often fall short when...Over the past decade,the landscape of cybersecurity has been increasingly shaped by the growing sophistication and frequency of malware attacks.Traditional detection techniques,while still in use,often fall short when confronted with modern threats that use advanced evasion strategies.This systematic review critically examines recent developments in malware detection,with a particular emphasis on the role of artificial intelligence(AI)and machine learning(ML)in enhancing detection capabilities.Drawing on literature published between 2019 and 2025,this study reviews 105 peer-reviewed contributions from prominent digital libraries including IEEE Xplore,SpringerLink,ScienceDirect,and ACM Digital Library.In doing so,it explores the evolution of malware,evaluates detection methods,assesses the quality and limitations of widely used datasets,and identifies key challenges facing the field.Unlike existing surveys,this work offers a structured comparison of AI-driven frameworks and provides a detailed account of emerging techniques such as hybrid detection frameworks and image-based analysis.The findings indicate that AIbased models trained on diverse,high-quality datasets consistently outperform conventional methods,particularly when supported by feature engineering,explainable AI and a multi-faceted strategy.The review concludes by outlining future research directions,including the need for standardized datasets,enhanced adversarial robustness,and the integration of privacy-preserving mechanisms in malware detection systems.展开更多
Owing to the exceptional optoelectronic properties,metal halide perovskites have emerged as leading semiconductor materials for next-generation display technologies,providing perovskite light-emitting diodes(Pe LEDs)g...Owing to the exceptional optoelectronic properties,metal halide perovskites have emerged as leading semiconductor materials for next-generation display technologies,providing perovskite light-emitting diodes(Pe LEDs)great potential for high-quality color displays with a wide color gamut and pure color emission.Although laboratory-scale Pe LEDs have achieved neartheoretical efficiencies,challenges such as achieving uniform large-area films,improving material stability,and enhancing patterning precision remain barriers to commercialization.This review presents a systematic analysis of scalable manufacturing and precision patterning strategies for Pe LEDs,focusing on their applications in large-area lighting and full-color displays.Fabrication methods are categorized into film deposition techniques(spin-coating,blade-coating,and thermal evaporation)and patterning strategies,including top-down(photolithography,laser/e-beam lithography,and nanoimprinting)and bottom-up(patterned crystal growth,inkjet printing,and electrohydrodynamic jet printing)approaches.In this review,we discuss the advantages and limitations of each strategy,highlight current challenges,and outlook possible pathways towards scalable,high-performance Pe LEDs for advanced optoelectronic applications.展开更多
Sustainability and scalability remain critical hurdles for the commercialization of organic solar cells(OSCs).However,addressing both poses challenge.Herein,we introduce a simple yet effective strategy utilizing 3,5-d...Sustainability and scalability remain critical hurdles for the commercialization of organic solar cells(OSCs).However,addressing both poses challenge.Herein,we introduce a simple yet effective strategy utilizing 3,5-dichloropyridine(PDCC)as a solid additive to fine-tune the self-assembly behavior of Y-series non-fullerene acceptors(NFAs)to tackle the upscaling limitations in green-solvent-processed OSCs.PDCC predominantly interacts with Y-series NFAs,facilitating molecular crystallization and thereby driving the self-assembly of Y-series NFAs during film-forming dynamics,leading to more uniform active layers with improved molecular packing and reduced charge recombination.As a result,PDCC-driven self-assembly strategy enables high-performance OSCs with a power conversion efficiency(PCE)of 20.47%.When translated to sustainable fabrication,this strategy significantly boosts the PCE of large-area green-solvent-processed OSC modules(19.3 cm^(2))from 13.87%to 15.79%,ranking it among the best-performing green-solvent-processed large-area OSC modules(>18 cm^(2)).Beyond its impact on PCE enhancement,PDCC serves as a multifunctional additive to improve long-term stability and exhibits strong universality across multiple material systems.This work establishes a promising approach for advancing sustainable and scalable OSCs,paving the way for their commercialization.展开更多
Efficient and flexible interactions require precisely converting human intentions into computer-recognizable signals,which is critical to the breakthrough development of metaverse.Interactive electronics face common d...Efficient and flexible interactions require precisely converting human intentions into computer-recognizable signals,which is critical to the breakthrough development of metaverse.Interactive electronics face common dilemmas,which realize highprecision and stable touch detection but are rigid,bulky,and thick or achieve high flexibility to wear but lose precision.Here,we construct highly bending-insensitive,unpixelated,and waterproof epidermal interfaces(BUW epidermal interfaces)and demonstrate their interactive applications of conformal human–machine integration.The BUW epidermal interface based on the addressable electrical contact structure exhibits high-precision and stable touch detection,high flexibility,rapid response time,excellent stability,and versatile“cut-and-paste”character.Regardless of whether being flat or bent,the BUW epidermal interface can be conformally attached to the human skin for real-time,comfortable,and unrestrained interactions.This research provides promising insight into the functional composite and structural design strategies for developing epidermal electronics,which offers a new technology route and may further broaden human–machine interactions toward metaverse.展开更多
In this work, a Fe-based nanocrystalline microwire of 20 mm in length and 25 μm in diameter was placed in the center of a 316 stainless steel pipe. The pipe was 500 μm in diameter and a little shorter than the micro...In this work, a Fe-based nanocrystalline microwire of 20 mm in length and 25 μm in diameter was placed in the center of a 316 stainless steel pipe. The pipe was 500 μm in diameter and a little shorter than the microwire. A series of voltages were applied on the pipe to study the influence of the electrical field on the Giant-Magneto-Impedance(GMI) effect of the microwire. Experimental results showed that the electronic field between the wire and the pipe reduced the hysteresis of the GMI effect. The results were explained based on equivalent circuit and eddy current consumptions analysis.展开更多
Low dimensional materials are suitable candidates applying in next-generation high-performance electronic,optoelectronic,and energy storage devices because of their uniquely physical and chemical properties.In particu...Low dimensional materials are suitable candidates applying in next-generation high-performance electronic,optoelectronic,and energy storage devices because of their uniquely physical and chemical properties.In particular,one-dimensional(1D)atomic wires(AWs)exfoliating from 1D van der Waals(vdW)bulks are more promising in next generation nanometer(nm)even sub-nm device applications owing to their width of few-atoms scale and free dandling bonds states.Although several 1D AWs have been experimentally prepared,few 1D AW candidates could be practically applied in devices owing to lack of enough suitable 1D AWs.Herein,367 kinds of 1D AWs have been screened and the corresponding computational database including structures,electronic structures,magnetic states,and stabilities of these 1D AWs has been organized and established.Among these systems,unary and binary 1D AWs with relatively small exfoliation energy are thermodynamically stable and theoretically feasible to be exfoliated.More significantly,rich quantum states emerge,such as 1D semiconductors,1D metals,1D semimetals,and 1D magnetism.This database will offer an ideal platform to further explore exotic quantum states and exploit practical device applications using 1D materials.The database are openly available at http://www.dx.doi.org/10.11922/sciencedb.j00113.00004.展开更多
BACKGROUND:Sepsis is one of the main causes of mortality in intensive care units(ICUs).Early prediction is critical for reducing injury.As approximately 36%of sepsis occur within 24 h after emergency department(ED)adm...BACKGROUND:Sepsis is one of the main causes of mortality in intensive care units(ICUs).Early prediction is critical for reducing injury.As approximately 36%of sepsis occur within 24 h after emergency department(ED)admission in Medical Information Mart for Intensive Care(MIMIC-IV),a prediction system for the ED triage stage would be helpful.Previous methods such as the quick Sequential Organ Failure Assessment(qSOFA)are more suitable for screening than for prediction in the ED,and we aimed to fi nd a light-weight,convenient prediction method through machine learning.METHODS:We accessed the MIMIC-IV for sepsis patient data in the EDs.Our dataset comprised demographic information,vital signs,and synthetic features.Extreme Gradient Boosting(XGBoost)was used to predict the risk of developing sepsis within 24 h after ED admission.Additionally,SHapley Additive exPlanations(SHAP)was employed to provide a comprehensive interpretation of the model's results.Ten percent of the patients were randomly selected as the testing set,while the remaining patients were used for training with 10-fold cross-validation.RESULTS:For 10-fold cross-validation on 14,957 samples,we reached an accuracy of 84.1%±0.3%and an area under the receiver operating characteristic(ROC)curve of 0.92±0.02.The model achieved similar performance on the testing set of 1,662 patients.SHAP values showed that the fi ve most important features were acuity,arrival transportation,age,shock index,and respiratory rate.CONCLUSION:Machine learning models such as XGBoost may be used for sepsis prediction using only a small amount of data conveniently collected in the ED triage stage.This may help reduce workload in the ED and warn medical workers against the risk of sepsis in advance.展开更多
The nature of magnetic and electronic structure in double perovskite structure A2FeMoO6(A = Sr,a,Ca) was calculated using the local spin density approximation(LSDA) and the LSDA+U Coulomb interaction method of density...The nature of magnetic and electronic structure in double perovskite structure A2FeMoO6(A = Sr,a,Ca) was calculated using the local spin density approximation(LSDA) and the LSDA+U Coulomb interaction method of density functional theory. The result shows that Sr2FeMoO6 is magnetic metallic material,whereas Ba2FeMoO6 and Ca2FeMoO6 are half-metallic materials. Fe has great effect on the magnetic property of double perovskite structure A2FeMoO6 materials. Because of the orbit hybridization and polarization between the metal element and O element,the Mo element has magnetic properties. The static magnetic moment of double perovskite structure A2FeMoO6 materials,the value of the magnetic moment of these A2FeMoO6 for(A=Ca,Sr,Ba) are 3.626 43μB,2.678 64μB,3.706 17μB,respectively. The magnetic moment of Fe element in the crystal cell are,3.626 43μB,2.678 64 μB,3.706 17μB. And the energy of crystal cells are -28 540.561 907Ry,-24 268.037 272Ry,-44 106.187 179Ry. These values are in agreement with the experiment values.展开更多
Indacenodithiophene-co-benzothiadiazole（IDTBT） has emerged as one of the most exciting semiconducting polymers in recent years because of its high electronic mobility and charge transport along the polymer backbone....Indacenodithiophene-co-benzothiadiazole（IDTBT） has emerged as one of the most exciting semiconducting polymers in recent years because of its high electronic mobility and charge transport along the polymer backbone. By using the recently developed ion gel gating technique we studied the charge transport of IDTBT at carrier densities up to 10^21cm^-3.While the conductivity in IDTBT was found to be enhanced by nearly six orders of magnitude by ionic gating, the charge transport in IDTBT was found to remain 3D Mott variable range hopping even down to the lowest temperature of our measurements, 12 K. The maximum mobility was found to be around 0.2 cm^2·V^-1·s^-1, lower than that of Cytop gated field effect transistors reported previously. We attribute the lower mobility to the additional disorder induced by the ionic gating.展开更多
Third-order nonlinear optical (NLO) materials have broad application prospects in high-density data storage, optical computer, modern laser technology, and other high-tech industries. The structures and frequencies of...Third-order nonlinear optical (NLO) materials have broad application prospects in high-density data storage, optical computer, modern laser technology, and other high-tech industries. The structures and frequencies of Dinaphtho[2,3-b:2’,3’-d]thiophene-5,7,12,13-tetraone (DNTTRA) and its 36 derivatives containing azobenzene were calculated by using density functional theory B3LYP and M06-2X methods at 6-311++g(d, p) level, respectively. Besides, the atomic charges of natural bond orbitals (NBO) were analyzed. The frontier orbitals and electron absorption spectra of A-G5 molecule were calculated by TD-DFT (TD-B3LYP/6-311++g(d, p) and TD-M06-2X/6-311++g(d, p)). The NLO properties were calculated by effective finite field FF method and self-compiled program. The results show that 36 molecules of these six series are D-π-A-π-D structures. The third-order NLO coefficients γ (second-order hyperpolarizability) of the D series molecules are the largest among the six series, reaching 10<sup>7</sup> atomic units (10<sup><span style="color:#4F4F4F;font-family:-apple-system, " font-size:14px;white-space:normal;background-color:#ffffff;"="">-</span>33</sup> esu) of order of magnitude, showing good third-order NLO properties. Last, the third-order NLO properties of the azobenzene ring can be improved by introducing strong electron donor groups (e.g. -N(CH<sub>3</sub>)<sub>2</sub> or -NHCH<sub>3</sub>) in the azobenzene ring, so that the third-order NLO materials with good performance can be obtained.展开更多
We investigate the photoinduced effects on the electronic structure for half-metallic ferromagnet CrO2 （Tc 390 K）, in which the conducting electrons are totally polarized, by using the LSDA＋U method. A significant ...We investigate the photoinduced effects on the electronic structure for half-metallic ferromagnet CrO2 （Tc 390 K）, in which the conducting electrons are totally polarized, by using the LSDA＋U method. A significant change is found for the band structure and the density of states （DOS） for CrO2 under photo-excitation, especially for the Cr 3dt2g band： disappearance of the spin-split band, suggesting collapse of the half-metallic state. We ascribe the change of electronic structure under photo-excitation to the wider one-electron band W via the strong hybridization of the down-spin Cr 3d and O 2p states. Furthermore we discuss the magnetic properties under photo-excitation.展开更多
基金supported by the National Natural Science Foundation of China(Nos.62374142 and 22005255)Fundamental Research Funds for the Central Universities(Nos.20720220085 and 20720240064)+2 种基金External Cooperation Program of Fujian(No.2022I0004)Major Science and Technology Project of Xiamen in China(No.3502Z20191015)Xiamen Natural Science Foundation Youth Project(No.3502Z202471002)。
文摘Quantum dots(QDs),a type of nanoscale semiconductor material with unique optical and electrical properties like adjustable emission and high photoluminescence quantum yields,are suitable for applications in optoelectronics.However,QDs are typically degraded under humid and high-temperature circumstances,greatly limiting their practical value.Coating the QD surface with an inorganic silica layer is a feasible method for improving stability and endurance in a variety of applications.This paper comprehensively reviews silica coating methodologies on QD surfaces and explores their applications in optoelectronic domains.Firstly,the paper provides mainstream silica coating approaches,which can be divided into two categories:in-situ hydrolysis of silylating reagents on QD surfaces and template techniques for encapsulation QDs.Subsequently,the recent applications of the silica-coated QDs on optoelectronic fields including light-emitting diodes,solar cells,photodetectors were discussed.Finally,it reviews recent advances in silica-coated QD technology and prospects for future applications.
文摘In this paper,we present a circuit model of single-quantum-well InGaN/GaN light-emitting diodes based on the standard rate equations.Two rate equations describe carrier transport processes occurring in sep-arate confinement heterostructure and quantum well respectively,and the third equation describes the varied photons in quantum well.By using the presented model,impacts of quantum well thickness on the static and dynamic performances are investigated.Simulated results show that LED with 4 nm well exhibits better lightcurrent(L-I)performance,but LED with 3 nm well presents wider 3 dB modulation bandwidth.It reveals that high carrier density in quantum well is detrimental to the static performance,but beneficial to the dynamic performance.
基金support received from National Research Foundation of Korea (NRF) Grant funded by the Korea government (MSIT)(RS-2024-00353768)the National Research Foundation of Korea (NRF) Grant funded by the Korea government (MSIT)(RS-2025-02217919)+1 种基金funded by the Yonsei Fellowshipfunded by Lee Youn Jae and the KIST Institutional Program Project No.2E31603-22-140 (KJY).
文摘Ultra-thin crystalline silicon stands as a cornerstone material in the foundation of modern micro and nano electronics.Despite the proliferation of various materials including oxide-based,polymer-based,carbon-based,and two-dimensional(2D)materials,crystal silicon continues to maintain its stronghold,owing to its superior functionality,scalability,stability,reliability,and uniformity.Nonetheless,the inherent rigidity of the bulk silicon leads to incompatibility with soft tissues,hindering the utilization amid biomedical applications.Because of such issues,decades of research have enabled successful utilization of various techniques to precisely control the thickness and morphology of silicon layers at the scale of several nanometres.This review provides a comprehensive exploration on the features of ultra-thin single crystalline silicon as a semiconducting material,and its role especially among the frontier of advanced bioelectronics.Key processes that enable the transition of rigid silicon to flexible form factors are exhibited,in accordance with their chronological sequence.The inspected stages span both prior and subsequent to transferring the silicon membrane,categorized respectively as on-wafer manufacturing and rigid-to-soft integration.Extensive guidelines to unlock the full potential of flexible electronics are provided through ordered analysis of each manufacturing procedure,the latest findings of biomedical applications,along with practical perspectives for researchers and manufacturers.
基金financially supported by the National Natural Science Foundation of China(grant numbers 22174118,12411530077,and 22374124).
文摘Nuclear magnetic resonance(NMR)spectroscopy is a powerful tool for analyzing molecular structure and composition.However,traditional NMR experiments suffer from long acquisition times,especially in multidimensional NMR spectroscopy.This problem,to some extent,limits broader applications of NMR techniques.Various methods have been proposed to accelerate sampling,including non-uniform sampling(NUS),multi-FID acquisition(MFA),Hadamard encoding,Fourier encoding,spatial encoding Ultrafast 2D NMR(UF2DNMR),and so on.The review focuses on rapid sampling methods developed in contemporary China,introducing their fundamental principles and applications while discussing their respective advantages and disadvantages.
基金supported by the National Natural Science Foundation of China (Grant No.92576208)Tsinghua University Initiative Scientific Research Program+1 种基金Beijing Science and Technology Planning ProjectTsinghua University Dushi Program。
文摘Scalability remains a major challenge in building practical fault-tolerant quantum computers.Currently,the largest number of qubits achieved across leading quantum platforms ranges from hundreds to thousands.In atom arrays,scalability is primarily constrained by the capacity to generate large numbers of optical tweezers,and conventional techniques using acousto-optic deflectors or spatial light modulators struggle to produce arrays much beyond∼10,000 tweezers.Moreover,these methods require additional microscope objectives to focus the light into micrometer-sized spots,which further complicates system integration and scalability.Here,we demonstrate the experimental generation of an optical tweezer array containing 280×280 spots using a metasurface,nearly an order of magnitude more than most existing systems.The metasurface leverages a large number of subwavelength phase-control pixels to engineer the wavefront of the incident light,enabling both large-scale tweezer generation and direct focusing into micron-scale spots without the need for a microscope.This result shifts the scalability bottleneck for atom arrays from the tweezer generation hardware to the available laser power.Furthermore,the array shows excellent intensity uniformity exceeding 90%,making it suitable for homogeneous single-atom loading and paving the way for trapping arrays of more than 10,000 atoms in the near future.
文摘TheIndustrial Internet of Things(IIoT)has emerged as a cornerstone of Industry 4.0,enabling large-scale automation and data-driven decision-making across factories,supply chains,and critical infrastructures.However,the massive interconnection of resource-constrained devices also amplifies the risks of eavesdropping,data tampering,and device impersonation.While digital signatures are indispensable for ensuring authenticity and non-repudiation,conventional schemes such as RSA and ECCare vulnerable to quantumalgorithms,jeopardizing long-termtrust in IIoT deployments.This study proposes a lightweight,stateless,hash-based signature scheme that achieves post-quantum security while addressing the stringent efficiency demands of IIoT.The design introduces two key optimizations:(1)Forest ofRandomSubsets(FORS)onDemand,where subset secret keys are generated dynamically via a PseudoRandom Function(PRF),thereby minimizing storage overhead and eliminating key-reuse risks;and(2)Winternitz One-Time Signature Plus(WOTS+)partial hash-chain caching,which precomputes intermediate hash values at edge gateways,reducing device-side computations,latency,and energy consumption.The architecture integrates a multi-layerMerkle authentication tree(Merkle tree)and role-based delegation across sensors,gateways,and a Signature Authority Center(SAC),supporting scalable cross-site deployment and key rotation.Froma theoretical perspective,we establish a formal(Existential Unforgeability under Chosen Message Attack)EUF-CMA security proof using a game-based reduction framework.The proof demonstrates that any successful forgerymust reduce to breaking the underlying assumptions of PRF indistinguishability,(second)preimage resistance,or collision resistance,thus quantifying adversarial advantage and ensuring unforgeability.On the implementation side,our design achieves a balanced trade-off between postquantum security and lightweight performance,offering concrete deployment guidelines for real-time industrial systems.In summary,the proposed method contributes both practical system design and formal security guarantees,providing IIoT with a deployable signature substrate that enhances resilience against quantum-era threats and supports future extensions such as device attestation,group signatures,and anomaly detection.
文摘Smart pest control is crucial for building farmresilience andensuringsustainable agriculture inthe faceof climate change and environmental challenges.To achieve effective intelligent monitoring systems,agricultural pest and disease detectionmust overcome three fundamental challenges:feature degradation in dense vegetation environments,limited detection capability for sub-32×32 pixel targets,and inadequate bounding box regression for irregular pest morphologies.This study proposes YOLOv12-KMA,a novel detection framework that addresses these limitations through four synergistic architectural innovations,specifically optimized for agricultural environments.First,we introduce efficient multi-head attention(C3K2-EMA),which reduces noise interference by 41%through selective regional attention while maintaining O(k⋅n⋅d)computational complexity vs.O(n2⋅d)for standard attention.Second,we develop A2C2f-KAN modules embedding Kolmogorov-Arnold networks(KAN)with B-spline activation functions,achieving 15%better feature representation for small targets without global distortion.Third,we propose minimum point distance intersection over union(MPDIoU)loss that resolves aspect ratio degeneration issues in complete intersection over union(CIoU),accelerating convergence by 23%for irregular pest shapes.Fourth,we implement the dynamic sampling(DySample)module that reduces computational overhead by 72%while preserving 94%feature fidelity compared to conventional interpolation methods.Comprehensive validation on 8742 annotated agricultural images demonstrates significant improvements:2.6 percentage point increase in mean average precision(mAP)@0.5(91.0%→93.6%),3.2 percentage point gain in mAP@0.5:0.95,with precision and recall improvements of 4.8%and 2.4%,respectively.Statistical analysis confirms significance(p<0.001)with large effect sizes(η2=0.78).The optimized architecture maintains real-time performance at 159 frames per second(FPS)on consumer hardware,enabling practical deployment in precision agriculture monitoring systems.
基金the Chinese University of Hong Kong for providing research resources and institutional support
文摘Accurate blood pressure(BP)monitoring is essential for preventing and managing cardiovascular disease.Advancements in materials science,medicine,flexible electronic,and artificial intelligence(AI)have enabled cuffless,unobtrusive BP monitoring systems,offering an alternative to traditional sphygmomanometers.However,extending these advances to real-world cardiovascular care particularly in resource-limited settings remains challenging due to constraints in computational resources,power efficiency,and deployment scalability.This review presents a comprehensive synthesis of AI-enhanced wearable BP monitoring,emphasizing its potential for personalized,scalable,and accessible healthcare.We systematically analyze the end-to-end system architecture,from mechano-electric sensing principles and AI-based estimation models to edge-aware deployment strategies tailored for low-resource environments.We further discuss clinical validation metrics and implementation barriers and prospective strategies.To bridge lab-to-field translation,we propose an innovative"sensor-model-deployment-assessment"co-design framework.This roadmap highlights how AI-enhanced BP technologies can support proactive hypertension control and promote cardiovascular health equity on a global scale.
基金appreciation to the Princess Nourah bint Abdulrahman University Researchers Supporting Project number(PNURSP2025R384)Princess Nourah bint Abdulrahman University,Riyadh,Saudi Arabia.
文摘The cloud-fog computing paradigm has emerged as a novel hybrid computing model that integrates computational resources at both fog nodes and cloud servers to address the challenges posed by dynamic and heterogeneous computing networks.Finding an optimal computational resource for task offloading and then executing efficiently is a critical issue to achieve a trade-off between energy consumption and transmission delay.In this network,the task processed at fog nodes reduces transmission delay.Still,it increases energy consumption,while routing tasks to the cloud server saves energy at the cost of higher communication delay.Moreover,the order in which offloaded tasks are executed affects the system’s efficiency.For instance,executing lower-priority tasks before higher-priority jobs can disturb the reliability and stability of the system.Therefore,an efficient strategy of optimal computation offloading and task scheduling is required for operational efficacy.In this paper,we introduced a multi-objective and enhanced version of Cheeta Optimizer(CO),namely(MoECO),to jointly optimize the computation offloading and task scheduling in cloud-fog networks to minimize two competing objectives,i.e.,energy consumption and communication delay.MoECO first assigns tasks to the optimal computational nodes and then the allocated tasks are scheduled for processing based on the task priority.The mathematical modelling of CO needs improvement in computation time and convergence speed.Therefore,MoECO is proposed to increase the search capability of agents by controlling the search strategy based on a leader’s location.The adaptive step length operator is adjusted to diversify the solution and thus improves the exploration phase,i.e.,global search strategy.Consequently,this prevents the algorithm from getting trapped in the local optimal solution.Moreover,the interaction factor during the exploitation phase is also adjusted based on the location of the prey instead of the adjacent Cheetah.This increases the exploitation capability of agents,i.e.,local search capability.Furthermore,MoECO employs a multi-objective Pareto-optimal front to simultaneously minimize designated objectives.Comprehensive simulations in MATLAB demonstrate that the proposed algorithm obtains multiple solutions via a Pareto-optimal front and achieves an efficient trade-off between optimization objectives compared to baseline methods.
文摘Over the past decade,the landscape of cybersecurity has been increasingly shaped by the growing sophistication and frequency of malware attacks.Traditional detection techniques,while still in use,often fall short when confronted with modern threats that use advanced evasion strategies.This systematic review critically examines recent developments in malware detection,with a particular emphasis on the role of artificial intelligence(AI)and machine learning(ML)in enhancing detection capabilities.Drawing on literature published between 2019 and 2025,this study reviews 105 peer-reviewed contributions from prominent digital libraries including IEEE Xplore,SpringerLink,ScienceDirect,and ACM Digital Library.In doing so,it explores the evolution of malware,evaluates detection methods,assesses the quality and limitations of widely used datasets,and identifies key challenges facing the field.Unlike existing surveys,this work offers a structured comparison of AI-driven frameworks and provides a detailed account of emerging techniques such as hybrid detection frameworks and image-based analysis.The findings indicate that AIbased models trained on diverse,high-quality datasets consistently outperform conventional methods,particularly when supported by feature engineering,explainable AI and a multi-faceted strategy.The review concludes by outlining future research directions,including the need for standardized datasets,enhanced adversarial robustness,and the integration of privacy-preserving mechanisms in malware detection systems.
基金supported by 14th Five-Year Plan Key R&D Plan,Ministry of Science and Technology of the People’s Republic of China,2024YFB3409002National Natural Science Foundation of China,12302142+4 种基金HKUSTHKUST(GZ)Collaborative Research Scheme,G035Yangcheng Scholars Research Project-Leading Talent Training Project,2024312156Guangzhou-HKUST(GZ)Joint Funding Scheme,2023A03J0157Guangzhou Basic and Applied Basic Research Project,2024A04J4765Shenzhen Basic Research Project,JCYJ20220530114417040。
文摘Owing to the exceptional optoelectronic properties,metal halide perovskites have emerged as leading semiconductor materials for next-generation display technologies,providing perovskite light-emitting diodes(Pe LEDs)great potential for high-quality color displays with a wide color gamut and pure color emission.Although laboratory-scale Pe LEDs have achieved neartheoretical efficiencies,challenges such as achieving uniform large-area films,improving material stability,and enhancing patterning precision remain barriers to commercialization.This review presents a systematic analysis of scalable manufacturing and precision patterning strategies for Pe LEDs,focusing on their applications in large-area lighting and full-color displays.Fabrication methods are categorized into film deposition techniques(spin-coating,blade-coating,and thermal evaporation)and patterning strategies,including top-down(photolithography,laser/e-beam lithography,and nanoimprinting)and bottom-up(patterned crystal growth,inkjet printing,and electrohydrodynamic jet printing)approaches.In this review,we discuss the advantages and limitations of each strategy,highlight current challenges,and outlook possible pathways towards scalable,high-performance Pe LEDs for advanced optoelectronic applications.
基金the research grant from the Youth Fund of the National Natural Science Foundation of China(62305340)the financial support from the Hong Kong Research Grant Council via STEM Postdoctoral Fellowship(Project no.9446002)+6 种基金the Alexander von Humboldt Foundation and the support during his stay in Christoph J.Brabec’s group at Friedrich-Alexander-Universität Erlangen-Nürnberg and Helmholtz-Institute Erlangen-Nürnberg(HI ERN)the research grant from KAUST global fellowship postdocfinancial support from the Innovation and Technology Commission(Grant no.MHP/104/21)Shenzhen Science and Technology Innovation Commission(JCYJ20210324125612035,R-IND12303,and R-IND12304)the National Key Research and Development Program of China(no.2021YFA1500900)the National Natural Science Foundation of China(no.52071174)the support from the Hong Kong Jockey Club under the research work Hong Kong JC STEM Lab for Circular Bio-economy(Project No.2023-0078)。
文摘Sustainability and scalability remain critical hurdles for the commercialization of organic solar cells(OSCs).However,addressing both poses challenge.Herein,we introduce a simple yet effective strategy utilizing 3,5-dichloropyridine(PDCC)as a solid additive to fine-tune the self-assembly behavior of Y-series non-fullerene acceptors(NFAs)to tackle the upscaling limitations in green-solvent-processed OSCs.PDCC predominantly interacts with Y-series NFAs,facilitating molecular crystallization and thereby driving the self-assembly of Y-series NFAs during film-forming dynamics,leading to more uniform active layers with improved molecular packing and reduced charge recombination.As a result,PDCC-driven self-assembly strategy enables high-performance OSCs with a power conversion efficiency(PCE)of 20.47%.When translated to sustainable fabrication,this strategy significantly boosts the PCE of large-area green-solvent-processed OSC modules(19.3 cm^(2))from 13.87%to 15.79%,ranking it among the best-performing green-solvent-processed large-area OSC modules(>18 cm^(2)).Beyond its impact on PCE enhancement,PDCC serves as a multifunctional additive to improve long-term stability and exhibits strong universality across multiple material systems.This work establishes a promising approach for advancing sustainable and scalable OSCs,paving the way for their commercialization.
基金supported by National Natural Science Foundation of China(52202117,52232006,52072029,and 12102256)Collaborative Innovation Platform Project of Fu-Xia-Quan National Independent Innovation Demonstration Zone(3502ZCQXT2022005)+3 种基金Natural Science Foundation of Fujian Province of China(2022J01065)State Key Lab of Advanced Metals and Materials(2022-Z09)Fundamental Research Funds for the Central Universities(20720220075)the Ministry of Education,Singapore,under its MOE ARF Tier 2(MOE2019-T2-2-179).
文摘Efficient and flexible interactions require precisely converting human intentions into computer-recognizable signals,which is critical to the breakthrough development of metaverse.Interactive electronics face common dilemmas,which realize highprecision and stable touch detection but are rigid,bulky,and thick or achieve high flexibility to wear but lose precision.Here,we construct highly bending-insensitive,unpixelated,and waterproof epidermal interfaces(BUW epidermal interfaces)and demonstrate their interactive applications of conformal human–machine integration.The BUW epidermal interface based on the addressable electrical contact structure exhibits high-precision and stable touch detection,high flexibility,rapid response time,excellent stability,and versatile“cut-and-paste”character.Regardless of whether being flat or bent,the BUW epidermal interface can be conformally attached to the human skin for real-time,comfortable,and unrestrained interactions.This research provides promising insight into the functional composite and structural design strategies for developing epidermal electronics,which offers a new technology route and may further broaden human–machine interactions toward metaverse.
文摘In this work, a Fe-based nanocrystalline microwire of 20 mm in length and 25 μm in diameter was placed in the center of a 316 stainless steel pipe. The pipe was 500 μm in diameter and a little shorter than the microwire. A series of voltages were applied on the pipe to study the influence of the electrical field on the Giant-Magneto-Impedance(GMI) effect of the microwire. Experimental results showed that the electronic field between the wire and the pipe reduced the hysteresis of the GMI effect. The results were explained based on equivalent circuit and eddy current consumptions analysis.
基金the National Key Research and Development Program of China(Grant No.2017YFE0129000)the National Natural Science Foundation of China(Grant Nos.51871121,11874223,and 11404172).
文摘Low dimensional materials are suitable candidates applying in next-generation high-performance electronic,optoelectronic,and energy storage devices because of their uniquely physical and chemical properties.In particular,one-dimensional(1D)atomic wires(AWs)exfoliating from 1D van der Waals(vdW)bulks are more promising in next generation nanometer(nm)even sub-nm device applications owing to their width of few-atoms scale and free dandling bonds states.Although several 1D AWs have been experimentally prepared,few 1D AW candidates could be practically applied in devices owing to lack of enough suitable 1D AWs.Herein,367 kinds of 1D AWs have been screened and the corresponding computational database including structures,electronic structures,magnetic states,and stabilities of these 1D AWs has been organized and established.Among these systems,unary and binary 1D AWs with relatively small exfoliation energy are thermodynamically stable and theoretically feasible to be exfoliated.More significantly,rich quantum states emerge,such as 1D semiconductors,1D metals,1D semimetals,and 1D magnetism.This database will offer an ideal platform to further explore exotic quantum states and exploit practical device applications using 1D materials.The database are openly available at http://www.dx.doi.org/10.11922/sciencedb.j00113.00004.
基金supported by the National Key Research and Development Program of China(2021YFC2500803)the CAMS Innovation Fund for Medical Sciences(2021-I2M-1-056).
文摘BACKGROUND:Sepsis is one of the main causes of mortality in intensive care units(ICUs).Early prediction is critical for reducing injury.As approximately 36%of sepsis occur within 24 h after emergency department(ED)admission in Medical Information Mart for Intensive Care(MIMIC-IV),a prediction system for the ED triage stage would be helpful.Previous methods such as the quick Sequential Organ Failure Assessment(qSOFA)are more suitable for screening than for prediction in the ED,and we aimed to fi nd a light-weight,convenient prediction method through machine learning.METHODS:We accessed the MIMIC-IV for sepsis patient data in the EDs.Our dataset comprised demographic information,vital signs,and synthetic features.Extreme Gradient Boosting(XGBoost)was used to predict the risk of developing sepsis within 24 h after ED admission.Additionally,SHapley Additive exPlanations(SHAP)was employed to provide a comprehensive interpretation of the model's results.Ten percent of the patients were randomly selected as the testing set,while the remaining patients were used for training with 10-fold cross-validation.RESULTS:For 10-fold cross-validation on 14,957 samples,we reached an accuracy of 84.1%±0.3%and an area under the receiver operating characteristic(ROC)curve of 0.92±0.02.The model achieved similar performance on the testing set of 1,662 patients.SHAP values showed that the fi ve most important features were acuity,arrival transportation,age,shock index,and respiratory rate.CONCLUSION:Machine learning models such as XGBoost may be used for sepsis prediction using only a small amount of data conveniently collected in the ED triage stage.This may help reduce workload in the ED and warn medical workers against the risk of sepsis in advance.
基金Project(NCET-04-0702) supported by the New Century Excellent Talents in University of ChinaProject(50771047) supported by the National Natural Science Foundation of China
文摘The nature of magnetic and electronic structure in double perovskite structure A2FeMoO6(A = Sr,a,Ca) was calculated using the local spin density approximation(LSDA) and the LSDA+U Coulomb interaction method of density functional theory. The result shows that Sr2FeMoO6 is magnetic metallic material,whereas Ba2FeMoO6 and Ca2FeMoO6 are half-metallic materials. Fe has great effect on the magnetic property of double perovskite structure A2FeMoO6 materials. Because of the orbit hybridization and polarization between the metal element and O element,the Mo element has magnetic properties. The static magnetic moment of double perovskite structure A2FeMoO6 materials,the value of the magnetic moment of these A2FeMoO6 for(A=Ca,Sr,Ba) are 3.626 43μB,2.678 64μB,3.706 17μB,respectively. The magnetic moment of Fe element in the crystal cell are,3.626 43μB,2.678 64 μB,3.706 17μB. And the energy of crystal cells are -28 540.561 907Ry,-24 268.037 272Ry,-44 106.187 179Ry. These values are in agreement with the experiment values.
基金Project supported by the Natural Science Foundation of Shanghai,China(Grant No.13ZR1456800)Ph.D. Programs Foundation of Ministry of Education of China(Grant No.20120073110093)+1 种基金the National Natural Science Foundation of China(Grant Nos.11274229,11474198,61274083,61334008,11274229,11474198,11204175)DOE under DE-FG02-04ER46159
文摘Indacenodithiophene-co-benzothiadiazole（IDTBT） has emerged as one of the most exciting semiconducting polymers in recent years because of its high electronic mobility and charge transport along the polymer backbone. By using the recently developed ion gel gating technique we studied the charge transport of IDTBT at carrier densities up to 10^21cm^-3.While the conductivity in IDTBT was found to be enhanced by nearly six orders of magnitude by ionic gating, the charge transport in IDTBT was found to remain 3D Mott variable range hopping even down to the lowest temperature of our measurements, 12 K. The maximum mobility was found to be around 0.2 cm^2·V^-1·s^-1, lower than that of Cytop gated field effect transistors reported previously. We attribute the lower mobility to the additional disorder induced by the ionic gating.
文摘Third-order nonlinear optical (NLO) materials have broad application prospects in high-density data storage, optical computer, modern laser technology, and other high-tech industries. The structures and frequencies of Dinaphtho[2,3-b:2’,3’-d]thiophene-5,7,12,13-tetraone (DNTTRA) and its 36 derivatives containing azobenzene were calculated by using density functional theory B3LYP and M06-2X methods at 6-311++g(d, p) level, respectively. Besides, the atomic charges of natural bond orbitals (NBO) were analyzed. The frontier orbitals and electron absorption spectra of A-G5 molecule were calculated by TD-DFT (TD-B3LYP/6-311++g(d, p) and TD-M06-2X/6-311++g(d, p)). The NLO properties were calculated by effective finite field FF method and self-compiled program. The results show that 36 molecules of these six series are D-π-A-π-D structures. The third-order NLO coefficients γ (second-order hyperpolarizability) of the D series molecules are the largest among the six series, reaching 10<sup>7</sup> atomic units (10<sup><span style="color:#4F4F4F;font-family:-apple-system, " font-size:14px;white-space:normal;background-color:#ffffff;"="">-</span>33</sup> esu) of order of magnitude, showing good third-order NLO properties. Last, the third-order NLO properties of the azobenzene ring can be improved by introducing strong electron donor groups (e.g. -N(CH<sub>3</sub>)<sub>2</sub> or -NHCH<sub>3</sub>) in the azobenzene ring, so that the third-order NLO materials with good performance can be obtained.
基金Supported by the National Natural Science Foundation of China under Grant Nos 10574071 and 10374041, the Key Project of Chinese Ministry of Education under Grant No 107051, and the Program for New Century Excellent Talents in Chinese University under Grant No NECT-04-045.
文摘We investigate the photoinduced effects on the electronic structure for half-metallic ferromagnet CrO2 （Tc 390 K）, in which the conducting electrons are totally polarized, by using the LSDA＋U method. A significant change is found for the band structure and the density of states （DOS） for CrO2 under photo-excitation, especially for the Cr 3dt2g band： disappearance of the spin-split band, suggesting collapse of the half-metallic state. We ascribe the change of electronic structure under photo-excitation to the wider one-electron band W via the strong hybridization of the down-spin Cr 3d and O 2p states. Furthermore we discuss the magnetic properties under photo-excitation.
