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Two-Dimensional MXene-Based Advanced Sensors for Neuromorphic Computing Intelligent Application
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作者 Lin Lu Bo Sun +2 位作者 Zheng Wang Jialin Meng Tianyu Wang 《Nano-Micro Letters》 2026年第2期664-691,共28页
As emerging two-dimensional(2D)materials,carbides and nitrides(MXenes)could be solid solutions or organized structures made up of multi-atomic layers.With remarkable and adjustable electrical,optical,mechanical,and el... As emerging two-dimensional(2D)materials,carbides and nitrides(MXenes)could be solid solutions or organized structures made up of multi-atomic layers.With remarkable and adjustable electrical,optical,mechanical,and electrochemical characteristics,MXenes have shown great potential in brain-inspired neuromorphic computing electronics,including neuromorphic gas sensors,pressure sensors and photodetectors.This paper provides a forward-looking review of the research progress regarding MXenes in the neuromorphic sensing domain and discussed the critical challenges that need to be resolved.Key bottlenecks such as insufficient long-term stability under environmental exposure,high costs,scalability limitations in large-scale production,and mechanical mismatch in wearable integration hinder their practical deployment.Furthermore,unresolved issues like interfacial compatibility in heterostructures and energy inefficiency in neu-romorphic signal conversion demand urgent attention.The review offers insights into future research directions enhance the fundamental understanding of MXene properties and promote further integration into neuromorphic computing applications through the convergence with various emerging technologies. 展开更多
关键词 two-dimensional MXenes SENSOR Neuromorphic computing Multimodal intelligent system Wearable electronics
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Emergent high-temperature superconductivity in two-dimensional XB_(2)(X=Si,Ge,Sn)monolayers via multicenter bonding
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作者 Wenyuan ZHANG Aitor BERGARA +1 位作者 Sheng WANG Guochun YANG 《Science China(Technological Sciences)》 2026年第2期220-228,共9页
Superconductivity in two-dimensional(2D)materials has attracted considerable attention due to their unique physical properties and potential for high-temperature operation.Boron-based 2D compounds are particularly pro... Superconductivity in two-dimensional(2D)materials has attracted considerable attention due to their unique physical properties and potential for high-temperature operation.Boron-based 2D compounds are particularly promising,thanks to their structural flexibility and the emergence of strong electron-phonon coupling(EPC)associated with light elements.While most previous studies have focused on stabilizing boron sheets through metal incorporation,we propose an alternative approach based on multicenter bonding enabled by group-IV non-metallic elements(Si,Ge,Sn).The resulting XB_(2)(X=Si,Ge,Sn)monolayers,which adopt a MgB_(2)-like monolayer configuration,are stabilized by a seven-center two-electron(7c-2e)bonding network between the X atoms and the boron honeycomb lattice.This bonding lowers the energy of the B-p_(z)orbitals and enhances lattice stability.The superconducting transition temperature(T_(c))increases significantly with the atomic number of X—from 4.7 K in SiB_(2)to 13.3 K in GeB_(2)and 24.9 K in SnB_(2)—driven by an increased carrier density near the Fermi level(E_(F))and softening of the high-frequency E_(2)phonon mode.Furthermore,we design a SnB_4 monolayer,in which a Sn layer is sandwiched between the two boron layers.This structure enriches in-plane phonon modes and strengthens EPC,yielding a T_(c)of 38 K,close to the McMillan limit.These findings highlight the critical role of multicenter bonding and targeted phonon engineering in enabling high-T_(c)2D boron-based superconductors. 展开更多
关键词 multicenter bonding first-principles calculations metallic covalent frameworks two-dimensional superconductivity
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Two-dimensional kagome semiconductor Sc_(6)S_(5)X_(6)(X=Cl,Br,I)with trilayer kagome lattice
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作者 Jin-Ling Yan Xing-Yu Wang +5 位作者 Gen-Ping Wu Hao Wang Ya-Jiao Ke Jiafu Wang Zhi-Hong Liu Jun-Hui Yuan 《Chinese Physics B》 2026年第2期519-528,共10页
Two-dimensional(2D)multilayer kagome materials hold significant research value for regulating kagome-related physical properties and exploring quantum effects.However,their development is hindered by the scarcity of a... Two-dimensional(2D)multilayer kagome materials hold significant research value for regulating kagome-related physical properties and exploring quantum effects.However,their development is hindered by the scarcity of available material systems,making the identification of novel 2D multilayer kagome candidates particularly important.In this work,three types of 2D materials with trilayer kagome lattices,namely Sc_(6)S_(5)X_(6)(X=Cl,Br,I),are predicted based on first-principles calculations.These 2D materials feature two kagome lattices composed of Sc atoms and one kagome lattice composed of S atoms.Stability analysis indicates that these materials can exist as free-standing 2D materials.Electronic structure calculations reveal that Sc_(6)S_(5)X_(6)are narrow-bandgap semiconductors(0.76–0.95 e V),with their band structures exhibiting flat bands contributed by Sc-based kagome lattices and Dirac band gaps resulting from symmetry breaking.The sulfur-based kagome lattice in the central layer contributes an independent flat band below the Fermi level.Additionally,Sc_(6)S_(5)X_(6)exhibit high carrier mobility,with hole and electron mobilities reaching up to 10^(3)cm^(2)·V^(-1)·s^(-1),indicating potential applications in low-dimensional electronic devices.This work provides an excellent example for the development of novel multilayer 2D kagome materials. 展开更多
关键词 multilayer kagome lattice two-dimensional materials carrier mobility first-principles calculations
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Wearable Biodevices Based on Two-Dimensional Materials:From Flexible Sensors to Smart Integrated Systems 被引量:1
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作者 Yingzhi Sun Weiyi He +3 位作者 Can Jiang Jing Li Jianli Liu Mingjie Liu 《Nano-Micro Letters》 2025年第5期207-255,共49页
The proliferation of wearable biodevices has boosted the development of soft,innovative,and multifunctional materials for human health monitoring.The integration of wearable sensors with intelligent systems is an over... The proliferation of wearable biodevices has boosted the development of soft,innovative,and multifunctional materials for human health monitoring.The integration of wearable sensors with intelligent systems is an overwhelming tendency,providing powerful tools for remote health monitoring and personal health management.Among many candidates,two-dimensional(2D)materials stand out due to several exotic mechanical,electrical,optical,and chemical properties that can be efficiently integrated into atomic-thin films.While previous reviews on 2D materials for biodevices primarily focus on conventional configurations and materials like graphene,the rapid development of new 2D materials with exotic properties has opened up novel applications,particularly in smart interaction and integrated functionalities.This review aims to consolidate recent progress,highlight the unique advantages of 2D materials,and guide future research by discussing existing challenges and opportunities in applying 2D materials for smart wearable biodevices.We begin with an in-depth analysis of the advantages,sensing mechanisms,and potential applications of 2D materials in wearable biodevice fabrication.Following this,we systematically discuss state-of-the-art biodevices based on 2D materials for monitoring various physiological signals within the human body.Special attention is given to showcasing the integration of multi-functionality in 2D smart devices,mainly including self-power supply,integrated diagnosis/treatment,and human–machine interaction.Finally,the review concludes with a concise summary of existing challenges and prospective solutions concerning the utilization of2D materials for advanced biodevices. 展开更多
关键词 two-dimensional material Wearable biodevice Flexible sensor Smart integrated system Healthcare
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Understanding the hydrogen evolution reaction activity of doped single-atom catalysts on two-dimensional GaPS_(4) by DFT and machine learning 被引量:3
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作者 Tianyun Liu Xin Zhao +5 位作者 Xuefei Liu Wenjun Xiao Zijiang Luo Wentao Wang Yuefei Zhang Jin-Cheng Liu 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2023年第6期93-100,I0004,共9页
As a zero-carbon fuel,hydrogen can be produced via electrochemical water splitting using clean electric energy by the hydrogen evolution reaction(HER)process.The ultimate goal of HER catalyst is to replace the expensi... As a zero-carbon fuel,hydrogen can be produced via electrochemical water splitting using clean electric energy by the hydrogen evolution reaction(HER)process.The ultimate goal of HER catalyst is to replace the expensive Pt metal benchmark with a cheap one with equivalent activities.In this work,we investigated the possibility of HER process on single-atom catalysts(SACs)doped on two-dimensional(2D)GaPS_(4)materials,which have a large intrinsic band gap that can be regulated by doping and tensile strain.Based on the machine learning regression analysis,we can expand the prediction of HER performance to more catalysts without expensive DFT calculation.The electron affinity and first ionization energy are the two most important descriptors related to the HER behavior.Furthermore,constrain molecular dynamics with solvation models and constant potentials were applied to understand the dynamics barrier of HER process of Pt SAC on GaPS_(4)materials.These findings not only provide important insights into the catalytic properties of single-atom catalysts on GaPS_(4)2D materials,but also provides theoretical guidance paradigm for exploration of new catalysts. 展开更多
关键词 two-dimensional GaPS_(4) Hydrogen evolution reaction Single-atom catalysis First-principles calculation Machine learning
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Inhibitory effect of the interlayer of two-dimensional vermiculite on the polysulfide shuttle in lithium-sulfur batteries
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作者 CHEN Xiaoli LUO Zhihong +3 位作者 XIONG Yuzhu WANG Aihua CHEN Xue SHAO Jiaojing 《无机化学学报》 北大核心 2025年第8期1661-1671,共11页
A functional interlayer based on two-dimensional(2D)porous modified vermiculite nanosheets(PVS)was obtained by acid-etching vermiculite nanosheets.The as-obtained 2D porous nanosheets exhibited a high specific surface... A functional interlayer based on two-dimensional(2D)porous modified vermiculite nanosheets(PVS)was obtained by acid-etching vermiculite nanosheets.The as-obtained 2D porous nanosheets exhibited a high specific surface area of 427 m^(2)·g^(-1)and rich surface active sites,which help restrain polysulfides(LiPSs)through good physi-cal and chemical adsorption,while simultaneously accelerating the nucleation and dissolution kinetics of Li_(2)S,effec-tively suppressing the shuttle effect.The assembled lithium-sulfur batteries(LSBs)employing the PVS-based inter-layer delivered a high initial discharge capacity of 1386 mAh·g^(-1)at 0.1C(167.5 mAh·g^(-1)),long-term cycling stabil-ity,and good rate property. 展开更多
关键词 vermiculite nanosheets two-dimensional materials INTERLAYER shuttle effect lithium-sulfur batteries
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Finite-Time Expected Present Value of Operating Costs until Ruin in a Two-Dimensional Risk Model with Periodic Observation
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作者 TENG Ye XIE Jiayi ZHANG Zhimin 《应用概率统计》 北大核心 2025年第5期748-765,共18页
This paper investigates ruin,capital injection,and dividends for a two-dimensional risk model.The model posits that surplus levels of insurance companies are governed by a perturbed composite Poisson risk model.This m... This paper investigates ruin,capital injection,and dividends for a two-dimensional risk model.The model posits that surplus levels of insurance companies are governed by a perturbed composite Poisson risk model.This model introduces a dependence between the two surplus levels,present in both the associated perturbations and the claims resulting from common shocks.Critical levels of capital injection and dividends are established for each of the two risks.The surplus levels are observed discretely at fixed intervals,guiding decisions on capital injection,dividends,and ruin at these junctures.This study employs a two-dimensional Fourier cosine series expansion method to approximate the finite time expected discounted operating cost until ruin.The ensuing approximation error is also quantified.The validity and accuracy of the method are corroborated through numerical examples.Furthermore,the research delves into the optimal capital allocation problem. 展开更多
关键词 two-dimensional risk model Fourier cosine expansion capital injection DIVIDEND
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MXenes-based separators with nanoconfined two-dimensional channels for high-performance lithium-sulfur battery
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作者 Yi-Hui Zhao Shuai Li +6 位作者 Yu-Lu Huo Zhen Li Lan-Lan Hou Yong-Qiang Wen Xiao-Xian Zhao Jian-Jun Song Jing-Chong Liu 《Rare Metals》 2025年第5期2921-2944,共24页
Lithium-sulfur(Li-S)batteries with high energy density and capacity have garnered significant research attention among various energy storage devices.However,the shuttle effect of polysulfides(LiPSs)remains a major ch... Lithium-sulfur(Li-S)batteries with high energy density and capacity have garnered significant research attention among various energy storage devices.However,the shuttle effect of polysulfides(LiPSs)remains a major challenge for their practical application.The design of battery separators has become a key aspect in addressing the challenge.MXenes,a promising two-dimensional(2D)material,offer exceptional conductivity,large surface area,high mechanical strength,and active sites for surface reactions.When assembled into layered films,MXenes form highly tunable two-dimensional channels ranging from a few angstroms to over 1 nm.These nanoconfined channels are instrumental in facilitating lithium-ion transport while effectively impeding the shuttle effect of LiPSs,which are essential for improving the specific capacity and cyclic stability of Li-S batteries.Substantial progress has been made in developing MXenes-based separators for Li-S batteries,yet there remains a research gap in summarizing advancements from the perspective of interlayer engineering.This entails maintaining the 2D nanochannels of layered MXenes-based separators while modulating the physicochemical environment within the MXenes interlayers through targeted modifications.This review highlights advancements in in situ modification of MXenes and their integration with 0D,1D,and 2D materials to construct laminated nanocomposite separators for Li-S batteries.The future development directions of MXenes-based materials in Li-S energy storage devices are also outlined,to drive further advancements in MXenes for Li-S battery separators. 展开更多
关键词 Lithium-sulfur battery MXenes SEPARATOR two-dimensional materials two-dimensional nanochannels
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硫铁化合物自燃影响因素及自燃机制的DFT研究综述
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作者 武司苑 陈天昊 +3 位作者 张钰 申青春 朱建文 史柏超 《安全与环境工程》 北大核心 2026年第1期156-168,共13页
硫铁化合物自燃是炼油行业长期面临的重要安全问题,尤其在处理高含硫原油时更为突出。从宏观影响因素和微观反应机理2个维度进行综述。在宏观层面,分析了温度、氧气浓度、湿度、粒径和化学组分等因素对硫铁化合物自燃的影响规律,以及多... 硫铁化合物自燃是炼油行业长期面临的重要安全问题,尤其在处理高含硫原油时更为突出。从宏观影响因素和微观反应机理2个维度进行综述。在宏观层面,分析了温度、氧气浓度、湿度、粒径和化学组分等因素对硫铁化合物自燃的影响规律,以及多因素耦合时硫铁化合物的自燃风险;在微观层面,以密度泛函理论(density functional theory,DFT)为基础,深入分析总结了硫铁化合物的电子结构特征、表面吸附行为和化学反应路径等微观机理。最后指出了当前研究在材料代表性、多场景适用性和反应机理认识等方面存在的问题,并提出了建议,旨在为硫铁化合物自燃防控提供更完善的理论基础和技术支撑。 展开更多
关键词 硫铁化合物 自燃 影响因素 密度泛函理论(dft)
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Two-Dimensional TiO_(2)Ultraviolet Filters for Sunscreens
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作者 Ling QiuHui-Ming Cheng Ruoning Yang +10 位作者 Jiefu Chen Xiang Li Yaxin Zhang Baofu Ding Yujiangsheng Xu Shaoqiang Luo Shaohua Ma Xingang Ren Gang Liu Ling Qiu Hui-Ming Cheng 《Nano-Micro Letters》 2025年第12期108-119,共12页
Titanium dioxide(TiO_(2))has been an important protective ingredient in mineral-based sunscreens since the 1990s.However,traditional TiO_(2)nanoparticle formulations have seen little improvement over the past decades ... Titanium dioxide(TiO_(2))has been an important protective ingredient in mineral-based sunscreens since the 1990s.However,traditional TiO_(2)nanoparticle formulations have seen little improvement over the past decades and continue to face persistent challenges related to light transmission,biosafety,and visual appearance.Here,we report the discovery of two-dimensional(2D)TiO_(2),characterized by a micro-sized lateral dimension(~1.6μm)and atomic-scale thickness,which fundamentally resolves these long-standing issues.The 2D structure enables exceptional light management,achieving 80%visible light transparency—rendering it nearly invisible on the skin—while maintaining UV-blocking performance comparable to unmodified rutile TiO_(2)nanoparticles.Its larger lateral size results in a two-orders-of-magnitude reduction in skin penetration(0.96 w/w%),significantly enhancing biosafety.Moreover,the unique layered architecture inherently suppresses the generation of reactive oxygen species(ROS)under sunlight exposure,reducing the ROS generation rate by 50-fold compared to traditional TiO_(2)nanoparticles.Through precise metal element modulation,we further developed the first customizable sunscreen material capable of tuning UV protection ranges and automatically matching diverse skin tones.The 2D TiO_(2)offers a potentially transformative approach to modern sunscreen formulation,combining superior UV protection,enhanced safety and a natural appearance. 展开更多
关键词 two-dimensional Titanium dioxide SUNSCREEN BIOSAFETY
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Analysis of Leakage Effects on Outlet Flow Characteristics of a Two-dimensional Piston Pump
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作者 Yu Huang Hanyu Xu +2 位作者 Wei Shao Chuan Ding Li Liu 《Chinese Journal of Mechanical Engineering》 2025年第3期545-557,共13页
Owing to their rolling friction,two-dimensional piston pumps are highly suitable as power components for electro-hydrostatic actuators(EHAs).These pumps are particularly advantageous for applications requiring high ef... Owing to their rolling friction,two-dimensional piston pumps are highly suitable as power components for electro-hydrostatic actuators(EHAs).These pumps are particularly advantageous for applications requiring high efficiency and reliability.However,the ambiguity surrounding the output flow characteristics of individual two-dimensional pumps poses a significant challenge in achieving precise closed-loop control of the EHA positions.To address this issue,this study established a comprehensive numerical model that included gap leakage to analyze the impact of leakage on the output flow characteristics of a two-dimensional piston pump.The validity of the numerical analysis was indirectly confirmed through meticulous measurements of the leakage and volumetric efficiency,ensuring robust results.The research findings indicated that,at lower pump speeds,leakage significantly affected the output flow rate,leading to potential inefficiencies in the system.Conversely,at higher rotational speeds,the impact of leakage was less pronounced,implying that the influence of leakage on the pump outlet flow must be carefully considered and managed for EHAs to perform position servo control.Additionally,the research demonstrates that two-dimensional motion does not have a unique or additional effect on pump leakage,thus simplifying the design considerations.Finally,the study concluded that maintaining an oil-filled leakage environment is beneficial because it helps reduce the impact of leakage and enhances the overall volumetric efficiency of the pump system. 展开更多
关键词 two-dimensional piston pump LEAKAGE Numerical simulation CLEARANCE
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Two-dimensional nanomaterials for environmental catalysis roadmap towards 2030
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作者 Jing Guo Jianzhong Ma +18 位作者 Junli Liu Guanjie Huang Xiaoting Zhou Francesco Parrino Riccardo Ceccato Leonardo Palmisano Boon-Junn Ng Lutfi Kurnianditia Putri Huaxing Li Rongjie Li Gang Liu Yang Wang Nikolay Kornienko Shan-Shan Zhu Zhenwei Zhang Xiaoming Liu Nur Atika Nikma Dahlan Siang-Piao Chai Jianmin Ma 《Chinese Chemical Letters》 2025年第9期223-235,共13页
Environmental catalysis has been considered one of the important research topics.Some technologies(e.g.,photocatalysis and electrocatalysis)have been intensively developed with the advance of synthetic technologies of... Environmental catalysis has been considered one of the important research topics.Some technologies(e.g.,photocatalysis and electrocatalysis)have been intensively developed with the advance of synthetic technologies of catalytical materials.In 2019,we discussed the development trend of this field,and wrote a roadmap on this topic in Chinese Chemical Letters(30(2019)2065-2088).Nowadays,we discuss it again from a new viewpoint along this road.In this paper,several subtopics are discussed,e.g.,photocatalysis based on titanium dioxide,violet phosphorus,graphitic carbon and covalent organic frameworks,electrocatalysts based on carbon,metal-and covalent-organic framework.Finally,we hope that this roadmap can enrich the development of two-dimensional materials in environmental catalysis with novel understanding,and give useful inspiration to explore new catalysts for practical applications. 展开更多
关键词 Environmental catalysis two-dimensional materials ELECTROCATALYSIS PHOTOCATALYSIS NANOMATERIALS
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Synthesis of two-dimensional diamond by phase transition from graphene at atmospheric pressure
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作者 Songyang Li Zhiguang Zhu +2 位作者 Youzhi Zhang Chengke Chen Xiaojun Hu 《Chinese Physics B》 2025年第5期596-607,共12页
It is a key challenge to prepare two-dimensional diamond(2D-diamond).Herein,we develop a method for synthesizing 2D-diamond by depositing monodisperse tantalum(Ta)atoms onto graphene substrates using a hot-filament ch... It is a key challenge to prepare two-dimensional diamond(2D-diamond).Herein,we develop a method for synthesizing 2D-diamond by depositing monodisperse tantalum(Ta)atoms onto graphene substrates using a hot-filament chemical vapor deposition setup,followed by annealing treatment under different temperatures at ambient pressure.The results indicate that when the annealing temperature increases from 700℃ to 1000℃,the size of the 2D-diamond found in the samples gradually increases from close to 20 nm to around 30 nm.Meanwhile,the size and number of amorphous carbon spheres and Ta-containing compounds between the graphene layers gradually increase.As the annealing temperature continues to rise to 1100℃,a significant aggregation of Ta-containing compounds is observed in the samples,with no diamond structure detected.This further confirms that monodisperse Ta atoms play a key role in graphene phase transition into 2D-diamond.This study provides a novel method for the ambient-pressure phase transition of graphene into 2D-diamond. 展开更多
关键词 GRAPHENE two-dimensional diamond vacuum annealing phase transition
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Exciton insulators in two-dimensional systems
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作者 Huaiyuan Yang Xi Dai Xin-Zheng Li 《Chinese Physics B》 2025年第9期496-505,共10页
Electron-hole interactions play a crucial role in determining the optoelectronic properties of materials,and in lowdimensional systems this is especially true due to the decrease of screening.In this review,we focus o... Electron-hole interactions play a crucial role in determining the optoelectronic properties of materials,and in lowdimensional systems this is especially true due to the decrease of screening.In this review,we focus on one unique quantum phase induced by the electron-hole interaction in two-dimensional systems,known as“exciton insulators”(EIs).Although this phase of matter has been studied for more than half a century,suitable platforms for its stable realization remain scarce.We provide an overview of the strategies to realize EIs in accessible materials and structures,along with a discussion on some unique properties of EIs stemming from the band structures of these materials.Additionally,signatures in experiments to distinguish EIs are discussed. 展开更多
关键词 excitonic insulator two-dimensional materials
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基于DFT计算的Cu掺杂CePO_(4)-H表面NH_(3)-SCR吸附行为研究
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作者 唐明轩 赵然 +2 位作者 潘东明 赵增武 刘畅 《稀有金属与硬质合金》 北大核心 2026年第1期83-92,107,共11页
Ce基催化剂拥有较高的氧储存能力和良好的高温热稳定性,在脱硝反应中展现出突出性能。针对CePO_(4)-H(六方磷酸铈)催化剂中Ce位点对NH_(3)和NO分子的低温吸附活性偏低的问题,本文采用浸渍法制备了Cu掺杂的CePO_(4)-H催化剂,研究了不同C... Ce基催化剂拥有较高的氧储存能力和良好的高温热稳定性,在脱硝反应中展现出突出性能。针对CePO_(4)-H(六方磷酸铈)催化剂中Ce位点对NH_(3)和NO分子的低温吸附活性偏低的问题,本文采用浸渍法制备了Cu掺杂的CePO_(4)-H催化剂,研究了不同Cu含量对催化剂脱硝性能和物相组成的影响;基于第一性原理密度泛函理论(DFT),采用PBE泛函研究了Cu掺杂CePO_(4)-H(100)晶面对NH_(3)-SCR反应中NH_(3)和NO的吸附行为。实验结果表明,Cu掺杂前后CePO_(4)-H催化剂均呈现典型六方相CePO_(4)特征;掺杂Cu后,CePO_(4)-H催化剂的NOx转化率提升,活性温度窗口变宽,NH_(3)-SCR催化脱硝性能明显提升。理论研究结果表明,NH_(3)和NO分子均能在Cu掺杂的CePO_(4)-H催化剂的Ce和Cu活性位点吸附,且无论是NH_(3)分子还是NO分子,在Ce活性位点上的吸附构型均表现出更高的稳定性。相较于未掺杂的CePO_(4)-H催化剂,Cu的掺杂显著增强了催化剂对NO的化学吸附能力,而对NH_(3)的吸附能力提升幅度相对较小。Cu活性位点吸附NH_(3)时为物理吸附,而吸附NO时发生典型的化学吸附。Cu掺杂通过调控CePO_(4)-H催化剂表面的电子结构,提高了反应物分子的吸附能,进而显著提高了NH_(3)-SCR反应的催化活性。本研究为CePO_(4)-H催化剂NH_(3)-SCR脱硝性能的提升提供了实验数据和理论支撑。 展开更多
关键词 dft NH_(3)-SCR CU掺杂 CePO_(4)-H 催化剂吸附 脱硝性能 活性位点
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Mechanistic insights into water desalination through two-dimensional MXene-graphene oxide membranes:A molecular simulation study
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作者 Jie Liu Xiaoyan Tan +3 位作者 Yibo Xu Zijuan Li Yanan Xue Faquan Yu 《Chinese Journal of Chemical Engineering》 2025年第11期313-322,共10页
The emerging two-dimensional(2D)membranes offer a promising way to improve the water desalination performance of traditional membranes.MXene/graphene oxide(GO) composite membrane are known for their high separation pe... The emerging two-dimensional(2D)membranes offer a promising way to improve the water desalination performance of traditional membranes.MXene/graphene oxide(GO) composite membrane are known for their high separation performance and structural stability.In this study,molecular simulations are performed to investigate the desalination performance of the 2D MXene/GO membrane.The results reveal that the surface of the MXene nanosheet could induce the formation of ordered water structures,thereby accelerating the water transport in the 2D membrane.The higher rejection rate would be found in MXene/GO membrane with a larger GO oxidation degree owing to the sterichindrance effect induced by the functional groups on the GO surface.Overall,the MXene/GO(20) membrane with the interlayer spacing of 0.9 nm shows the highest water permeability(37.22×10^(-7)L·m^(-1)·h^(-1)·bar^(-1),1 bar=0.1 MPa)and a salt rejection of 100%.The results could provide theoretical insights for developing 2D membranes for water desalination. 展开更多
关键词 two-dimensional membrane MXene Graphene oxide DESALINATION Molecular dynamics simulation
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Ultrathin two-dimensional electrocatalysts: Structure-property relationships, mechanistic insights, and applications in water electrolysis
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作者 Lina Wang Muhan Na +5 位作者 Ruofei Du Xiujin Wang Boyang Yu Lan Yang Hui Chen Xiaoxin Zou 《Chinese Journal of Catalysis》 2025年第10期4-19,共16页
The pursuit of sustainable hydrogen production has positioned water electrolysis as a cornerstone technology for global carbon neutrality.However,sluggish kinetics,catalyst scarcity,and system integration challenges h... The pursuit of sustainable hydrogen production has positioned water electrolysis as a cornerstone technology for global carbon neutrality.However,sluggish kinetics,catalyst scarcity,and system integration challenges hinder its widespread deployment.Ultrathin two-dimensional(2D)materials,with their atomically exposed surfaces,tunable electronic structures,and defect-engineering capabilities,present unique opportunities for next-generation electrocatalysts.This review provides an integrated overview of ultrathin 2D electrocatalysts,discussing their structural diversity,synthetic routes,structure-activity relationships,and mechanistic understanding in water electrolysis processes.Special focus is placed on the translation of 2D materials from laboratory research to practical device implementation,emphasizing challenges such as scalable fabrication,interfacial engineering,and operational durability in realistic electrolyzer environments.The role of advanced characterization techniques in capturing dynamic structural changes and active site evolution is discussed.Finally,we outline future research directions,emphasizing the synergy of machine learning-driven materials discovery,advanced operando characterization,and scalable system integration to accelerate the industrial translation of 2D electrocatalysts for green hydrogen production. 展开更多
关键词 two-dimensional material Water splitting reaction ELECTROCATALYSIS Catalytic mechanism ELECTROLYZER
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Exploring Electric Vehicle Purchases and Residential Choices in a Two-Dimensional Monocentric City:An Agent-Based Microeconomic Model
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作者 Chao Shu Yue Bao +1 位作者 Ziyou Gao Zaihan Gao 《Engineering》 2025年第3期316-330,共15页
Vehicle electrification,an important method for reducing carbon emissions from road transport,has been promoted globally.In this study,we analyze how individuals adapt to this transition in transportation and its subs... Vehicle electrification,an important method for reducing carbon emissions from road transport,has been promoted globally.In this study,we analyze how individuals adapt to this transition in transportation and its subsequent impact on urban structure.Considering the varying travel costs associated with electric and fuel vehicles,we analyze the dynamic choices of households concerning house locations and vehicle types in a two-dimensional monocentric city.A spatial equilibrium is developed to model the interactions between urban density,vehicle age and vehicle type.An agent-based microeconomic residential choice model dynamically coupled with a house rent market is developed to analyze household choices of home locations and vehicle energy types,considering vehicle ages and competition for public charging piles.Key findings from our proposed models show that the proportion of electric vehicles(EVs)peaks at over 50%by the end of the first scrappage period,accompanied by more than a 40%increase in commuting distance and time compared to the scenario with only fuel vehicles.Simulation experiments on a theoretical grid indicate that heterogeneity-induced residential segregation can lead to urban sprawl and congestion.Furthermore,households with EVs tend to be located farther from the city center,and an increase in EV ownership contributes to urban expansion.Our study provides insights into how individuals adapt to EV transitions and the resulting impacts on home locations and land use changes.It offers a novel perspective on the dynamic interactions between EV adoption and urban development. 展开更多
关键词 Electric vehicles two-dimensional monocentric city Agent-based model Residential segregation
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Trajectory tracking on the optimal path of two-dimensional quadratic barrier escaping
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作者 Zengxuan Zhao Xiuying Zhang +4 位作者 Pengchen Zhao Chunyang Wang Chunlei Xia Mushtaq Rana Imran Joelous Malamula Nyasulu 《Chinese Physics B》 2025年第5期92-95,共4页
The diffusion trajectory of a Brownian particle passing over the saddle point of a two-dimensional quadratic potential energy surface is tracked in detail according to the deep learning strategies.Generative adversari... The diffusion trajectory of a Brownian particle passing over the saddle point of a two-dimensional quadratic potential energy surface is tracked in detail according to the deep learning strategies.Generative adversarial networks(GANs)emanating in the category of machine learning(ML)frameworks are used to generate and assess the rationality of the data.While their optimization is based on the long short-term memory(LSTM)strategies.In addition to drawing a heat map,the optimal path of two-dimensional(2D)diffusion is simultaneously demonstrated in a stereoscopic space.The results of our simulation are completely consistent with the previous theoretical predictions. 展开更多
关键词 trajectory tracking optimal path two-dimensional barrier escaping deep learning
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