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Random State Approach to Quantum Computation of Electronic-Structure Properties
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作者 Yiran Bai Feng Xiong Xueheng Kuang 《Chinese Physics Letters》 2026年第1期89-104,共16页
Classical computation of electronic properties in large-scale materials remains challenging.Quantum computation has the potential to offer advantages in memory footprint and computational scaling.However,general and v... Classical computation of electronic properties in large-scale materials remains challenging.Quantum computation has the potential to offer advantages in memory footprint and computational scaling.However,general and viable quantum algorithms for simulating large-scale materials are still limited.We propose and implement random-state quantum algorithms to calculate electronic-structure properties of real materials.Using a random state circuit on a small number of qubits,we employ real-time evolution with first-order Trotter decomposition and Hadamard test to obtain electronic density of states,and we develop a modified quantum phase estimation algorithm to calculate real-space local density of states via direct quantum measurements.Furthermore,we validate these algorithms by numerically computing the density of states and spatial distributions of electronic states in graphene,twisted bilayer graphene quasicrystals,and fractal lattices,covering system sizes from hundreds to thousands of atoms.Our results manifest that the random-state quantum algorithms provide a general and qubit-efficient route to scalable simulations of electronic properties in large-scale periodic and aperiodic materials. 展开更多
关键词 periodic materials random state circuit random state quantum algorithms electronic structure properties density states aperiodic materials quantum algorithms quantum computation
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Electronic correlations and topological states at the interface of twisted bilayer graphene and chromium oxychloride
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作者 Minsheng Li Zehao Jia +6 位作者 Xiangyu Cao Qiang Ma Chang Jiang Yuda Zhang Linfeng Ai Pengliang Leng Faxian Xiu 《Chinese Physics B》 2026年第2期185-192,共8页
When two layers of graphene are stacked with a twist angle of approximately 1.1°,strong interlayer coupling gives rise to a pair of flat bands in twisted bilayer graphene(TBG),resulting in pronounced electron–el... When two layers of graphene are stacked with a twist angle of approximately 1.1°,strong interlayer coupling gives rise to a pair of flat bands in twisted bilayer graphene(TBG),resulting in pronounced electron–electron interactions.At half filling of the flat bands,TBG exhibits correlated insulating states.Here,we investigate the electrical transport properties of heterostructures composed of TBG and the antiferromagnetic insulator chromium oxychloride(CrOCl),and propose a strategy to modulate the correlated insulating states in TBG.During the transition from a conventional phase to a strong interfacial coupling phase,kink-like features are observed in the charge neutrality point(CNP),correlated insulating state,and band insulating state.Under a perpendicular magnetic field,the system exhibits broadened quantum Hall plateaus in the strong interfacial coupling regime.Electrons localized in the CrOCl layer screen the bottom gate,rendering the carrier density in TBG less sensitive to variations in the bottom gate voltage.These phenomena are well captured by a charge-transfer model between TBG and CrOCl.Our results provide insights into the control of electronic correlations and topological states in graphene moirésystems via interfacial charge coupling. 展开更多
关键词 twisted bilayer graphene correlated insulating state CrOCl interfacial coupling charge transfer
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Solid-Polymer-Electrolyte Interphase Inductively Formed by Surface Chemistry to Stabilize the High Ni Cathode in Sulfide-Based All-Solid-State Lithium Batteries
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作者 Guo Tang Gengzhong Lin +5 位作者 Yicheng Deng Hui Li Yuliang Cao Yongjin Fang Hanxi Yang Xinping Ai 《Carbon Energy》 2026年第1期26-37,共12页
High-nickel cathode,LiNi0.8Co0.1Mn0.1O_(2)(NCM811),and sulfide-solid electrolyte are a promising combination for all-solid-state lithium batteries(ASSLBs).However,this combination faces the issue of interfacial instab... High-nickel cathode,LiNi0.8Co0.1Mn0.1O_(2)(NCM811),and sulfide-solid electrolyte are a promising combination for all-solid-state lithium batteries(ASSLBs).However,this combination faces the issue of interfacial instability between the cathode and electrolyte.Given the surface alkalinity of NCM811,we propose a strategy to construct a solid-polymer-electrolyte(SPE)interphase on NCM811 surface by leveraging the surface alkaline residues to nucleophilically initiate the in-situ ring-opening polymerization of cyclic organic molecules.As a proof-of-concept,this study demonstrates that the ring-opening copolymerization of 1,3-dioxolane and maleic anhydride produces a homogeneous,compact,and conformal SPE layer on NCM811 surface to prevent the cathode from contact and reaction with Li6PS5Cl solid-state electrolyte.Consequently,the SPE-modified-NCM811 in ASSLBs exhibits high capacities of 193.5 mA h g^(-1) at 0.2 C,160.9 mA h g^(-1) at 2.0 C and 112.3 mA h g^(-1) at 10 C,and particularly,excellent long-term cycling stabilities over 11000 cycles with a 71.95%capacity retention at 10 C at 25℃,as well as a remained capacity of 117.9 mA h g^(-1) after 8000 cycles at 30 C at 60℃,showing a great application prospect.This study provides a new route for creating electrochemically and structurally stable solid-solid interfaces for ASSLBs. 展开更多
关键词 all-solid-state lithium batteries Ni-rich layered oxides nucleophilic reaction solid-polymer-electrolyte interphase sulfide solid electroly
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Computational screening for novel solid-state electrolytes in Li_(3)MX_(6) composition
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作者 Olgert L.Dallakyan Alexey P.Maltsev +8 位作者 Ilya V.Chepkasov Misha A.Aghamalyan Areg A.Hunanyan Nane Z.Petrosyan Mikayel S.Chobanyan Mikayel T.Sahakyan Luiza G.Khachatryan Artem R.Oganov Hayk A.Zakaryan 《Journal of Energy Chemistry》 2026年第1期495-504,I0011,共11页
Halide solid-state electrolytes have gained significant attention in recent years due to their high ionic conductivity,making them promising candidates for future all-solid-state batteries.Recent studies have identifi... Halide solid-state electrolytes have gained significant attention in recent years due to their high ionic conductivity,making them promising candidates for future all-solid-state batteries.Recent studies have identified numerous crystal structures with the Li_(3)MX_(6)composition,although many remain unexplored across various chemical systems.In this research,we developed a comprehensive method to examine all conceivable space groups and structures within theLi-M-X system,where M includes In,Ga,and La,and X includes F,Cl,Br,and 1.Our findings revealed two metastable structures:Li_(3)InF_(6)with P3c1 symmetry and Li_(3)InI_(6)with C2/c symmetry,exhibiting ionic conductivities of 0.55 and 2.18mS/cm at 300K,respectively.Notably,the trigonal symmetry of Li3InF6 demonstrates that high ionic conductivities are not limited to monoclinic structures but can also be achieved with trigonal symmetries.The electrochemical stability windows,mechanical properties,and reaction energies of these materials with known cathodes suggest their potential for use in all-solid-state batteries.Additionally,we predicted the stability of novel materials,including Li_(5)InCl_(8),Li_(5)InBr_(8),Li_(5)InI_(8),LiIn_(2)Cl_(9),LiIn_(2)Br_(9),and LiIn_(2)I_(9). 展开更多
关键词 Solid state electrolyte HALIDES Novel materials DFT
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Coexistence of near-E_(F) Van Hove Singularity and in-Gap Topological Dirac Surface States in Superconducting Electrides
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作者 Yin Yang Peihan Sun +9 位作者 Ye Shen Zhijun Tu Pengcheng Ma Hongrun Zhen Tianqi Wang Longli Tian Tian Cui Hechang Lei Kai Liu Zhonghao Liu 《Chinese Physics Letters》 2026年第1期213-217,共5页
Superconducting elect rides have attracted growing attention for their potential to achieve high superconducting transition temperatures(T_(C))under pressure.However,many known elect rides are chemically reactive and ... Superconducting elect rides have attracted growing attention for their potential to achieve high superconducting transition temperatures(T_(C))under pressure.However,many known elect rides are chemically reactive and unstable,making high-quality single-crystal growth,characterization,and measurements difficult,and most do not exhibit superconductivity at ambient pressure.In contrast,La_(3) In stands out for its ambient-pressure superconductivity(T_(C)∼9.4 K)and the availability of high-quality single crystals.Here,we investigate its low-energy electronic structure using angle-resolved photoemission spectroscopy and first-principles calculations.The bands near the Fermi energy(E_(F))are mainly derived from La 5d and In 5p orbitals.A saddle point is directly observed at the Brillouin zone(BZ)boundary,while a three-dimensional Van Hove singularity crosses E_(F) at the BZ corner.First-principles calculations further reveal topological Dirac surface states within the bulk energy gap above E_(F).The coexistence of a high density of states and in-gap topological surface states near𝐸F suggests that La3In offers a promising platform for tuning superconductivity and exploring possible topological superconducting phases through doping or external pressure. 展开更多
关键词 ambient pressure superconductivity superconducting elect rides gap topological Dirac surface states La superconducting electrides near e_(f)Van Hove singularity angle resolved photoemission spectroscopy elect rides
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Hybridization Gap and Edge States in Strained-Layer InAs/In_(0.5)Ga_(0.5)Sb Quantum Spin Hall Insulator
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作者 Wenfeng Zhang Peizhe Jia +4 位作者 Wen-kai Lou Xinghao Wang Shaokui Su Kai Chang Rui-Rui Du 《Chinese Physics Letters》 2026年第1期179-183,共5页
The hybridization gap in strained-layer InAs/In_(x)Ga_(1−x) Sb quantum spin Hall insulators(QSHIs)is significantly enhanced compared to binary InAs/GaSb QSHI structures,where the typical indium composition,x,ranges be... The hybridization gap in strained-layer InAs/In_(x)Ga_(1−x) Sb quantum spin Hall insulators(QSHIs)is significantly enhanced compared to binary InAs/GaSb QSHI structures,where the typical indium composition,x,ranges between 0.2 and 0.4.This enhancement prompts a critical question:to what extent can quantum wells(QWs)be strained while still preserving the fundamental QSHI phase?In this study,we demonstrate the controlled molecular beam epitaxial growth of highly strained-layer QWs with an indium composition of x=0.5.These structures possess a substantial compressive strain within the In_(0.5)Ga_(0.5)Sb QW.Detailed crystal structure analyses confirm the exceptional quality of the resulting epitaxial films,indicating coherent lattice structures and the absence of visible dislocations.Transport measurements further reveal that the QSHI phase in InAs/In_(0.5)Ga_(0.5)Sb QWs is robust and protected by time-reversal symmetry.Notably,the edge states in these systems exhibit giant magnetoresistance when subjected to a modest perpendicular magnetic field.This behavior is in agreement with the𝑍2 topological property predicted by the Bernevig–Hughes–Zhang model,confirming the preservation of topologically protected edge transport in the presence of enhanced bulk strain. 展开更多
关键词 strained layer quantum spin hall insulators qshis InAs Ga Sb edge states quantum wells qws be controlled molecular beam epitaxial growth hybridization gap quantum spin Hall insulator
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Spin-state engineering of octahedral Co via tetrahedral Ni in NiCo_(2)O_(4)for electrocatalytic glucose oxidation to formate
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作者 Zihao Wang Xiran Wang +10 位作者 Baoqi Jia Yilin Zuo Lin Zhou Zining Yan Zanyang Zhu Yonghao Xiao Yunfei Zhang Yufan Yang Xin Chen Lizhen Liu Xin Zhao 《Journal of Energy Chemistry》 2026年第1期605-617,I0013,共14页
Electrocatalytic glucose oxidation to high-value chemicals provides a sustainable route for biomass valorization.NiCo-based catalysts have emerged as promising candidates for glucose oxidation reaction owing to the in... Electrocatalytic glucose oxidation to high-value chemicals provides a sustainable route for biomass valorization.NiCo-based catalysts have emerged as promising candidates for glucose oxidation reaction owing to the intrinsic activity of Ni and Co catalytic centers.However,the dynamic evolution and atomic-scale synergy between these centers remain elusive.Herein,we fabricated NiCo_(2)O_(4)nanosheets supported on nickel foam,where Ni preferentially occupies tetrahedral sites to regulate the electronic configuration of octahedral Co.Experimental and theoretical results demonstrate that the incorporation of tetrahedral Ni induces low-to-intermediate spin transition in octahedral Co,thereby optimizing eg orbital occupancy and stabilizing active sites.This spin-state engineering establishes Ni-Co synergistic catalytic centers for the selective oxidation of glucose to formate(FA).At higher potential(≥1.4 V vs.RHE),octahedral Co undergoes reconstruction into excessive active CoOOH and CoO_(2)species,resulting in glucose overoxidation to CO_(2)and intensified competitive oxygen evolution.In contrast,at lower potentials(<1.4 V vs.RHE),tetrahedral Ni facilitates electron delocalization across the Ni–O–Co lattice,thereby stabilizing octahedral Co for glucose adsorption and oxidation.Subsequently,a coupled electrocatalytic system was constructed,achieving 80.7%FA yield with 91.3%Faradaic efficiency(FE)at NiCo_(2)O_(4)anode and H2 evolution rate of 696μmol h^(−1)with 99.9%FE at Pt cathode for 2 h under 1.35 V vs.RHE.This work provides a deep insight into spin-state regulation of the catalytic center,offering valuable guidance for rational catalyst design. 展开更多
关键词 Electrocatalysis Glucose oxidation Biomass valorization Spin-state regulation FORMATE
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A designed flexible solid-state electrolyte with rich hydrogen-bonded networks from TPU-PEGDA/LLZTO for Li metal batteries
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作者 Haowen Li Hongying Hou +10 位作者 Dai-Huo Liu Bao Li Dongmei Dai Bao Wang Mengmin Jia Zhuangzhuang Zhang Liang Wang Yaru Qiao Canhui Wu Huihui Zhu Pengyao Yan 《Chinese Chemical Letters》 2026年第2期564-569,共6页
Thermoplastic polyurethane(TPU)consists of a hardsegment and a soft segment,where the former affords mechanical strength and thermalstability,while the latter provides a possibility of good ionic conductivity by promo... Thermoplastic polyurethane(TPU)consists of a hardsegment and a soft segment,where the former affords mechanical strength and thermalstability,while the latter provides a possibility of good ionic conductivity by promoting dissociation of ions from the lithium salt.Thus,TPU attracts a wide interest recently as a promising polymer electrolyte for solid-state lithium batteries.However,the relatively low ionic conductivity of TPU still restricts its actual applications due to the aggregation of polymer chains,which greatly reduces the dissociation of lithium salts.Herein,a strategy to address this challenge was adopted by in situ polymerization poly(ethylene glycol diacrylate)(PEGDA)in fully dispersed TPU.Hence a stretchable solid-state electrolyte(denoted as TELL and the contrast sample was denoted as TLL)with high ionic conductivity of 7.18×10^(-4) S/cm was obtained at room temperature.The Li^(+)transference number is 0.85 in Li|TELL|Li cell and can stably undergo charge-discharge cycles for 1400 h at a current density of O.1 mA/cm^(2),while the contrast sample is short-circuited after 634 h of cycling.The LiFePO_(4)|TELL|Li cell achieves a capacity retention of 78.93%after 200 cycles at 2 C.The LiFePO_(4) TLL Li cellonly gains the capacity retention of 51.9%after 50 cyclesat the same current density.So,the method adopted here may provide a new approach to realize a flexible solid-state electrolyte with high ion-conductivity. 展开更多
关键词 Poly(ethylene glycol diacrylate) THERMOPLASTIC Hydrogen-bonded network High ion-conductivity Solid-state lithium batteries
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High-spin state electron configuration in Mn-doped Ni_(3)Se_(4)for efficient methanol oxidation
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作者 Yong Zhang Yi Ma +8 位作者 Jing Yu Canhuang Li Jordi Arbiol Xiaoxi Wang Ning Jian Huan Ge Luming Li Andreu Cabot Junshan Li 《Journal of Energy Chemistry》 2026年第1期720-729,I0016,共11页
The methanol oxidation reaction(MOR)to formic acid offers a promising alternative to the anodic oxygen evolution reaction(OER)in water electrolysis.However,the development of efficient and cost-effective catalysts rem... The methanol oxidation reaction(MOR)to formic acid offers a promising alternative to the anodic oxygen evolution reaction(OER)in water electrolysis.However,the development of efficient and cost-effective catalysts remains a primary challenge.In this study,an enhancement in catalytic MOR performance is achieved through the incorporation of Mn atoms with unsaturated t_(2g)orbitals into Ni_(3)Se_(4).Comprehensive experimental analyses and theoretical calculations reveal that substituting Ni with Mn induces strong electron-withdrawing effects,effectively modulating the local coordination environment of the metal centers.The presence of Mn also elongates Ni–Se(O)bonds,which reduces eg orbital occupancy and modifies the spin state of the material.Electrochemical measurements demonstrate that electrodes based on this optimized material exhibit a high spin state and deliver excellent catalytic activity,achieving a MOR current density up to∼190 mA cm^(−2)at 1.6 V.This performance enhancement is attributed to the favorable electronic configuration and reduced reaction energy barriers associated with the high-spin state. 展开更多
关键词 Methanol oxidation reaction Nickel selenide Spin state Electrocatalysis Formic acid
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Eliminating Schottky Barrier via interface state manipulation on phase-tailored 2D/3D perovskite solar cells
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作者 Junmin Xia Hao Gu +15 位作者 Ziyi Wang Mengting Chen Hui Hong Zhifeng Li Bo Cai Kun Cao Jia Guo Guangbao Wu Ke Guo Shengwen Li Annan Zhu Shi Chen Yongqing Cai Chao Liang Shufen Chen Guichuan Xing 《Journal of Energy Chemistry》 2026年第1期760-769,I0017,共11页
Surface passivation via two-dimensional(2D)perovskite has emerged as a promising strategy to enhance the performance of perovskite solar cells(PSCs)due to the effective compensation of interfacial states.However,the i... Surface passivation via two-dimensional(2D)perovskite has emerged as a promising strategy to enhance the performance of perovskite solar cells(PSCs)due to the effective compensation of interfacial states.However,the in situ grown 2D perovskite passivation layers typically comprise a mixture of multiple dimensionalities at the interface,where band alignment has only been portrayed qualitatively and empirically.Herein,the interface states for precisely phase-tailored 2D perovskite passivated PSCs are quantitatively investigated.In comparison to traditional passivation molecules,2D perovskite layers based on 4-trifluoromethyl-phenylethylammonium iodide(CF3PEAI)exhibit an increased work function,introducing desirable downward band bending to eliminate the Schottky Barrier.Furthermore,precisely phase-tailored 2D layers could modulate the interface trap density and energetics.The n=1 film delivers optimal performance with a hole extraction efficiency of 95.1%.The optimized n-i-p PSCs in the two-step method significantly improve PCE to 25.40%,along with enhanced photostability and negligible hysteresis.It highlights that tailoring in the composition and phase distribution of the 2D perovskite layer could modulate the interface states at the 2D/3D interface. 展开更多
关键词 Perovskite solar cells Interface states Band alignment Phase tailoring
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Octupole correlations of the K^(π)=5/2^(+)ground-state band in^(229)Th
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作者 Yuan-Yuan Wang Peng-Wei Zhao 《Chinese Physics B》 2026年第2期156-161,共6页
The octupole correlations of the K^(π)=5/2^(+)ground state and the rotational spectrum built on it in^(229)Th are studied using the microscopic relativistic density functional theory on a three-dimensional lattice sp... The octupole correlations of the K^(π)=5/2^(+)ground state and the rotational spectrum built on it in^(229)Th are studied using the microscopic relativistic density functional theory on a three-dimensional lattice space and the reflection-asymmetric triaxial particle rotor model.It is found that^(229)Th has a ground state with static axial octupole and quadrupole deformations.The occurrence of octupole correlations,driven by the octupole deformation,is analyzed through the evolution of single-particle levels around the Fermi surface.The experimental energy spectrum and the electromagnetic transition probabilities,including B(E2)and B(M1),are reasonably well reproduced. 展开更多
关键词 octupole correlation relativistic density functional theory reflection-asymmetric triaxial particle rotor model rotational spectrum
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Mechanisms of montmorillonite-mediated high-temperature catalysis of organic matter under variable hydration states and implications for petroleum geology
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作者 Xiaoyang ZHAO Guanghui YUAN +5 位作者 Yingchang CAO Fang HAO Keyu LIU Zihao JIN Xiaohan FU Fulin SHAO 《Science China Earth Sciences》 2026年第2期660-678,共19页
Clay minerals play a crucial role in catalyzing kerogen to form hydrocarbons,significantly influencing petroleum system evolution.Montmorillonite(MT)dehydrates upon heating;however,the catalytic mechanisms governing t... Clay minerals play a crucial role in catalyzing kerogen to form hydrocarbons,significantly influencing petroleum system evolution.Montmorillonite(MT)dehydrates upon heating;however,the catalytic mechanisms governing the thermal decomposition of organic matter at different dehydration levels remain unclear.Additionally,the mechanism by which external water suppresses MT’s catalytic efficiency remains debated.To resolve this issue,this study conducted pyrolysis simulation experiments(340℃,10 days)with various combinations of octadecanoic acid(OA),water,hydrochloric acid(HCl)solution,MT,dehydrated-MT,and illite.We integrated mineral/organic transformation analyses(XRD/FTIR/SSNMR/SEM),temperature-dependent characterization of solid acid sites(NH 3-TPD/FTIR),and quantitative product measurements(GC/GC-MS)to elucidate how clay-bound water and external water differentially regulate organic-matter cracking pathways.The results suggest that clay-bound water controls reaction pathways by tuning both the type(Brønsted vs.Lewis)and density of solid acid sites.External water inhibits catalytic efficiency by reducing direct contact between organic matter and solid acid sites.Compared with untreated MT,150°C-dehydrated MT-OA system exhibited strong interlayer water polarization,which increased Brønsted acid site density and enhanced the carbonium-ion mechanism,thereby promoting isoalkane production.In contrast,250℃-dehydrated MT-OA system,where interlayer water was nearly eliminated,had fewer Brønsted acid sites but greater exposure of Lewis acid sites,facilitating decarboxylation and increasing CO_(2) production.In hydrous systems,the addition of HCl solution did not enhance the carbonium-ion mechanism compared to the hydrous system with only water,indicating that only protons bound to solid acid sites,rather than liquid H+in water,can trigger the carbonium-ion reaction.This shows that the catalysis of organic-matter cracking by clay minerals such as MT is fundamentally an interfacial chemical process that requires direct mineral-organic contact;the presence of external water reduces catalytic efficiency primarily by physically separating OA from MT and hindering that contact.This study elucidates the controlling mechanisms of MT-catalyzed thermal cracking under different water conditions and deepens our understanding of hydrocarbon-generation pathways during kerogen maturation in sedimentary basins. 展开更多
关键词 MONTMORILLONITE Octadecanoic acid Pyrolysis experiments Brønsted and Lewis acids HYDROCARBON Water
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Quantum steering for two-mode states with continuous-variable in laser channel
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作者 Kaimin Zheng Jifeng Sun +1 位作者 Liyun Hu Lijian Zhang 《Chinese Physics B》 2026年第2期329-341,共13页
Einstein–Podolsky–Rosen(EPR)steering is an important resource for one-sided device-independent quantum information processing.This steering property can be destroyed by the interaction between a quantum system and i... Einstein–Podolsky–Rosen(EPR)steering is an important resource for one-sided device-independent quantum information processing.This steering property can be destroyed by the interaction between a quantum system and its environment in practical applications.In this paper,we employ the characteristic function representation of probability distributions to investigate the quantum steering of two-mode continuous-variable states in a laser channel,where both the gain factor and the loss effect are taken into account.Firstly,we analyse the steering time of the two-mode squeezed vacuum state under one-mode and two-mode laser channels,respectively.We find that the gain process introduces additional noise into the two-mode squeezed vacuum state,thereby reducing the steerable time.Secondly,by quantifying EPR steering,we show that two-side loss exhibits smaller steerability than one-side loss,although they share the same two-way steerable time.In addition,we find that the more-gained party can steer the other party’s state,whereas the other party cannot steer the gained party beyond a certain threshold value.In this sense,the gain effect in one party appears to be equivalent to the loss effect in the other party.Our results pave the way for the distillation of EPR steering and quantum information processing in practical quantum channels. 展开更多
关键词 Einstein-Podolsky-Rosen steering laser channel characteristic function
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Progresses on Th-doped materials for solid-state nuclear clock
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作者 Cheng-Chun Zhao Lin Li +5 位作者 Shan-Ming Li Qiao-Rui Gong Pei-Xiong Zhang Yin Hang Long-Sheng Ma Shi-Ning Zhu 《Chinese Physics B》 2026年第2期109-120,共12页
The isomeric transition of thorium-229(^(229)Th),as the only known laser-accessible nuclear transition,offers the possibility for the development of a new generation of optical clocks.Solid-state nuclear optical clock... The isomeric transition of thorium-229(^(229)Th),as the only known laser-accessible nuclear transition,offers the possibility for the development of a new generation of optical clocks.Solid-state nuclear optical clock based on^(229)Th-doped crystals or thin films has attracted much attention due to its potential advantages in high stability,miniaturization,and robustness.This paper reviews the research progress of solid-state nuclear optical clock materials,analyzes the preparation,defects,and properties of the candidate solid material systems for^(229)Th,explores the influence of the local crystal environment on the nuclear transition,focuses on introducing the latest research results of crystal materials such as Th-doped CaF_(2)and LiSrAlF_(6),and looks forward to the future development direction of this field.It could provide a reference for the material selection and optimization of solid-state nuclear optical clocks. 展开更多
关键词 thorium-229 optical clock Th-doped crystal Th-doped film
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Double Wilczek–Zee connection and mixed-state quantum geometric tensor
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作者 Xiaoguang Wang Xiao-Ming Lu +2 位作者 Jing Liu Wenkui Ding Libin Fu 《Chinese Physics B》 2026年第2期300-305,共6页
The Wilczek–Zee connection(WZC)is a key concept in the study of topology of quantum systems.Here,we introduce the double Wilczek–Zee connection(DWZC)which naturally appears in the pure-state quantum geometric tensor... The Wilczek–Zee connection(WZC)is a key concept in the study of topology of quantum systems.Here,we introduce the double Wilczek–Zee connection(DWZC)which naturally appears in the pure-state quantum geometric tensor(QGT),another important concept in the field of quantum geometry.The DWZC is Hermitian with respect to the two integer indices,just like the original Hermitian WZC.Based on the symmetric logarithmic derivative operator,we propose a mixed-state quantum geometric tensor.Using the symmetric properties of the DWZC,we find that the real part of the QGT is connected to the real part of the DWZC and the square of eigenvalue differences of the density matrix,whereas the imaginary part can be given in terms of the imaginary part of the DWZC and the cube of the eigenvalue differences.For density matrices with full rank or no full rank,the QGT can be given in terms of real and imaginary parts of the DWZC. 展开更多
关键词 quantum geometry Wilczek–Zee connection quantum geometric tensor
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Reactivation of rate-and-state faults induced by CO_(2)injection:Effects of pore pressure diffusion and fluid pressurization
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作者 Yao Zhang Qi Li +2 位作者 Xiaying Li Yongsheng Tan Meng Jing 《Journal of Rock Mechanics and Geotechnical Engineering》 2026年第2期954-970,共17页
While injection-induced seismicity has been widely studied,its implications for CO_(2)geological storage require reevaluation due to distinct fluid-rock interactions.This study develops a coupled hydromechanical model... While injection-induced seismicity has been widely studied,its implications for CO_(2)geological storage require reevaluation due to distinct fluid-rock interactions.This study develops a coupled hydromechanical model incorporating rate-and-state friction laws to investigate fault reactivation mechanisms during early-stage CO_(2)injection.The competing effects of pore pressure diffusion and fluid pressurization are systematically investigated,considering three key factors:permeability variations within fault damage zones,normal stress variation coefficients,and injection parameters.Numerical simulations reveal that slower CO_(2)migration causes limited pressure perturbation(<0.3 MPa over 15 d)compared to single-phase fluid injection.Fluid pressurization enhances fault strength and delays reactivation,though this stabilizing effect diminishes in low-permeability damage zones.Highly permeable damage zones promote larger rupture areas despite strengthening from pressurization,as reduced effective stress accelerates failure.Paradoxically,while fluid pressurization increases fault strength,it simultaneously elevates seismic risk through amplified stress drops during slip events.Temporal analysis shows that fluid pressurization dominates initial fault response,while sustained pore pressure diffusion ultimately drives reactivation.Increased normal stress variation coefficients and injection rates accelerate localized rupture initiation but restrict propagation due to non-critically stressed states.This discrepancy demonstrates that regions with positive Coulomb failure stress changes do not correlate well with actual slip zones.These findings highlight the critical interplay between transient pressurization effects and progressive pressure diffusion during early CO_(2)injection phases,providing crucial insights for seismic risk management in CO_(2)storage projects. 展开更多
关键词 CO_(2)geological storage Induced seismicity Fault reactivation Fluid pressurization
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Solid–State Hydrogen Storage Materials with Excellent Selective Hydrogen Adsorption in the Presence of Alkanes,Oxygen,and Carbon Dioxide by Atomic Layer Amorphous Al_(2)O_(3)Encapsulation
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作者 Fanqi Bu Zhenyu Wang +8 位作者 Ali Wajid Rui Zhai Ting Liu Yaohua Li Xin Ji Xin Liu Shujiang Ding Yonghong Cheng Jinying Zhang 《Nano-Micro Letters》 2026年第3期180-195,共16页
Metal hydrides with high hydrogen density provide promising hydrogen storage paths for hydrogen transportation.However,the requirement of highly pure H_(2)for re-hydrogenation limits its wide application.Here,amorphou... Metal hydrides with high hydrogen density provide promising hydrogen storage paths for hydrogen transportation.However,the requirement of highly pure H_(2)for re-hydrogenation limits its wide application.Here,amorphous Al_(2)O_(3)shells(10 nm)were deposited on the surface of highly active hydrogen storage material particles(MgH_(2)-ZrTi)by atomic layer deposition to obtain MgH_(2)-ZrTi@Al_(2)O_(3),which have been demonstrated to be air stable with selective adsorption of H_(2)under a hydrogen atmosphere with different impurities(CH_(4),O_(2),N_(2),and CO_(2)).About 4.79 wt% H_(2)was adsorbed by MgH_(2)-ZrTi@10nmAl_(2)O_(3)at 75℃under 10%CH_(4)+90%H_(2)atmosphere within 3 h with no kinetic or density decay after 5 cycles(~100%capacity retention).Furthermore,about 4 wt%of H_(2)was absorbed by MgH_(2)-ZrTi@10nmAl_(2)O_(3)under 0.1%O_(2)+0.4%N_(2)+99.5%H_(2)and 0.1%CO_(2)+0.4%N_(2)+99.5%H_(2)atmospheres at 100℃within 0.5 h,respectively,demonstrating the selective hydrogen absorption of MgH_(2)-ZrTi@10nmAl_(2)O_(3)in both oxygen-containing and carbon dioxide-containing atmospheres hydrogen atmosphere.The absorption and desorption curves of MgH_(2)-ZrTi@10nmAl_(2)O_(3)with and without absorption in pure hydrogen and then in 21%O_(2)+79%N_(2)for 1 h were found to overlap,further confirming the successful shielding effect of Al_(2)O_(3)shells against O_(2)and N_(2).The MgH_(2)-ZrTi@10nmAl_(2)O_(3)has been demonstrated to be air stable and have excellent selective hydrogen absorption performance under the atmosphere with CH_(4),O_(2),N_(2),and CO_(2). 展开更多
关键词 Hydrogen storage Magnesium hydrides Selective hydrogen adsorption Air stability Amorphous Al_(2)O_(3)shells
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Angular-Momentum-Resolved Rydberg State Population of Argon Ions in Strong Laser Fields
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作者 Zhigang Zheng Di Wang +6 位作者 Mingyue Wang Li Wang Xu Sun Jing Zhao Zhihui Lv Xiaowei Wang Zengxiu Zhao 《Chinese Physics Letters》 2025年第5期21-25,共5页
This letter demonstrates an experimental approach to measuring the angular-momentum-resolved population of excited states in laser-produced argon ions.By measuring the spectra of free induction decay emissions corresp... This letter demonstrates an experimental approach to measuring the angular-momentum-resolved population of excited states in laser-produced argon ions.By measuring the spectra of free induction decay emissions corresponding to the resonant transitions between Rydberg states,the relative population of the Rydberg states is obtained with known Einstein A-coefficients.This study deepens the mechanistic understanding of coherent dynamics in laser-driven ionic excited states,and establishes experimental benchmarks essential for validating and refining advanced quantum kinetic models in strong-field physics. 展开更多
关键词 coherent dynamics strong laser fields rydberg statesthe relative population rydberg states resonant transitions free induction decay emissions angular momentum resolved rydberg state population
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Published as part of the Journal of Electrochemistry special issue “In-Depth Reflections on the Top Ten Scientific Questions in Electrochemistry”. Strategies for Obtaining High-Performance Li-Ion Solid-State Electrolytes for Solid-State Batteries
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作者 Yi-Cheng Deng Zi-Chang You +14 位作者 Geng-Zhong Lin Guo Tang Jing-Hua Wu Zhi-Min Zhou Xiang-Chun Zhuang Li-Xuan Yang Zhen-Jie Zhang Zhao-Yin Wen Xia-Yin Yao Chang-Hong Wang Qian Zhou Guang-Lei Cui Ping He Hui Li Xin-Ping Ai 《电化学(中英文)》 北大核心 2025年第10期1-55,共55页
With the widespread adoption of lithium-ion batteries(LIBs),safety concerns associated with flammable organic elec-trolytes have become increasingly critical.Solid-state lithium batteries(SSLBs),with enhanced safety a... With the widespread adoption of lithium-ion batteries(LIBs),safety concerns associated with flammable organic elec-trolytes have become increasingly critical.Solid-state lithium batteries(SSLBs),with enhanced safety and higher energy density potential,are regarded as a promising next-generation energy storage technology.However,the practical appli-cation of solid-state electrolytes(SSEs)remains hindered by several challenges,including low Li^(+)ion conductivity,poor interfacial compatibility with electrodes,unfavorable mechanical properties and difficulties in scalable manufacturing.This review systematically examines recent progress in SSEs,including inorganic types(oxides,sulfides,halides),organic types(polymers,plastic crystals,poly(ionic liquids)(PILs)),and the emerging class of soft solid-state electrolytes(S3Es),especially those based on“rigid-flexible synergy”composites and“Li+-desolvation”mechanism using porous frameworks.Critical assessment reveals that single-component SSEs face inherent limitations that are difficult to be fully overcome through compositional and structural modification alone.In contrast,S3Es integrate the strength of complementary components to achieve a balanced and synergic enhancement in electrochemical properties(e.g.,ionic conductivity and stability window),mechanical integrity,and processability,showing great promise as next-generation SSEs.Furthermore,the application-ori-ented challenges and emerging trends in S3E research are outlined,aiming to provide strategic insights into future develop-ment of high-performance SSEs. 展开更多
关键词 Solid-state electrolytes Solid-state batteries Soft solid-state electrolytes Lithium-ion conductivity Interface compatibility
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Vitamin D deficiency in prostate cancer:Prevalence in a sun-rich climate and influence of androgen deprivation therapy
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作者 Nazmul Hasan Desiree Rafizadeh +5 位作者 Spencer Gibson Dalia Kaakour Benjamin Lee Barbod Khaleghi Omid Yazdanpanah Arash Rezazadeh Kalebasty 《World Journal of Clinical Oncology》 2025年第6期178-188,共11页
BACKGROUND Vitamin D deficiency has been associated with prostate cancer,particularly in ethnic minorities.Patients with prostate cancer may still be deficient even in areas of high sun exposure.Although androgen depr... BACKGROUND Vitamin D deficiency has been associated with prostate cancer,particularly in ethnic minorities.Patients with prostate cancer may still be deficient even in areas of high sun exposure.Although androgen deprivation therapy(ADT)is well documented to affect bone health,its impact on vitamin D levels is still uncertain.This study investigates the subgroups of prostate cancer patients most associated with vitamin D deficiency and ADT’s relation to this.AIM To examine how prevalent vitamin D deficiency is among prostate cancer patients in a sun-rich environment,with focus on differences by race and disease stage.It also assessed whether ADT is associated with changes in vitamin D levels.METHODS Prostate cancer patients treated at Chao Family Comprehensive Cancer Center between 2014-2024 were retrospectively studied with regards to vitamin D levels across racial groups,disease stages,and ADT exposure.Changes in vitamin D levels pre-and post-ADT over 24 months were assessed by statistical methods including paired t-tests.RESULTS Among 120 patients(mean age:74 years,mean body mass index:27.6 kg/m^(2)),African American(33.3%)and Hispanic(31.8%)patients had the greatest prevalence of vitamin D deficiency(<20 ng/mL).With a 28.6%deficit rate,metastatic castration-resistant prostate cancer had the highest prevalence rates of deficiency.There was no significant difference between pre-and post-ADT vitamin D levels(P=0.45).CONCLUSION Vitamin D deficiency is common in prostate cancer patients,especially racial minorities and those with advanced disease,despite residing in an area with high sun exposure.ADT does not significantly impact vitamin D levels in the short term.Routine screening and supplementation should be considered in these high-risk groups. 展开更多
关键词 Vitamin D Prostate cancer Androgen deprivation therapy Racial disparities Bone health Sunlight exposure Metastatic prostate cancer
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