云南高校图书馆联盟文献共享服务平台- ELECTRONIC

检索规则说明：AND代表“并且”；OR代表“或者”；NOT代表“不包含”；(注意必须大写,运算符两边需空一格)

检索范例：范例一： (K=图书馆学 OR K=情报学) AND A=范并思　　　　范例二：J=计算机应用与软件 AND (U=C++ OR U=Basic) NOT M=Visual

全部期刊核心期刊 EI来源期刊 SCI来源期刊 CA来源期刊 CSCD来源期刊 CSSCI来源期刊

Electronic structure and ultraviolet spectra of p-C_(6)H_(4)-C_(20): 《原子与分子物理学报》2025年第3期21-28,共8页CHEN Xin; 安徽省高等学校科研基金(2022AH051686);皖西学院高层次人才项目(WGKQ2022099)。; Geometry optimization of p-C_(6)H_(4)-connected cyclo[20]carbon(p-C_(6)H_(4)-C_(20))was carried out at M062X/6-311G(d,p)level,three kinds of bond orders(Mayer,Laplacian,and Wiberg),electron-hole distributions,localize...; 关键词：p-C_(6)H_(4)-C_(20) Bone orders UV spectrum Electron-hole analyses π-electron delocalization analyses

Oxygen deficiency mechanism of La_(3)Ni_(2)O_(7–δ)under pressure: 《Science China(Physics,Mechanics & Astronomy)》2025年第4期171-179,共9页Yu Chen Ke Zhang Minghui Xu Yan Zhao Haiyan Xiao Liang Qiao; supported by the Key Research and Development Program of China(Grant No.2023YFA1406301);the National Natural Science Foundation of China(Grant No.12274061);the Sichuan Science and Technology Program(Grant No.2024ZYD0164)。; The recent discovery of superconductivity in pressurized bilayer nickelate La_(3)Ni_(2)O_7has triggered tremendous research interest.However,the experimentally observed oxygen deficiency implies that obtaining perfect...; 关键词：La_(3)Ni_(2)O_(7–δ) DFT calculations chemical potential oxygen vacancy electronic structure

Exploring superconductivity in dynamically stable carbon-boron clathrates trapping molecular hydrogen: 《Chinese Physics B》2025年第3期131-140,共10页Akinwumi Akinpelu Mangladeep Bhullar Timothy A.Strobel Yansun Yao; supported by Carnegie Canada and Natural Sciences and Engineering Research Council of Canada(NSERC);support from the U.S.Department of Energy(DOE),Office of Science,Basic Energy Sciences,under Award No.DESC0020683。; The recent discovery of type-Ⅶboron-carbon clathrates with calculated superconducting transition temperatures approaching~100 K has sparked interest in exploring new conventional superconductors that may be stabilize...; 关键词：SUPERCONDUCTIVITY electronic structure density functional theory molecular dynamics

Electronic structure and carrier mobility of BSb nanotubes: 《Chinese Physics B》2025年第3期183-188,共6页Lantian Xue Chennan Song Miaomiao Jian Qiang Xu Yuhao Fu Pengyue Gao Yu Xie; Project supported by the National Key R&D Program of China(Grant Nos.2022YFA1402503,2023YFA1406200,2023YFB3003001);the National Natural Science Foundation of China(Grant Nos.12074138 and 12047530);the Interdisciplinary Integration and Innovation Project of JLU;Fundamental Research Funds for the Central Universities;the Program for JLU Science and Technology Innovative Research Team(JLUSTIRT)。; High-mobility semiconductor nanotubes have demonstrated great potential for applications in high-speed transistors,single-charge detection,and memory devices.Here we systematically investigated the electronic properti...; 关键词：ab initio calculations NANOTUBES electronic structure carrier mobility

Tailoring the d-band electronic structure of FePc by direct oxygen bridge on ZIF-8 derived ultrathin carbon shell to improve the oxygen reduction performance: 《Nano Research》2025年第3期132-141,共10页Xilin Zhang Shan Wang Zhiyi Sun Zhongjun Ma Huixuan Wang Zongxian Yang Qingfang Chang Wenxing Chen; financially supported by the National Natural Science Foundation of China(Nos.U180413,11904084,and U2004212);Center for Outstanding Overseas Scientists(No.GZS2023007).; Molecular catalysts with well-defined single atom sites and coordination environments exhibit significant potential as oxygen reduction electrocatalysts,but suffering from the activity and stability issues.Herein,the ...; 关键词：metal-organic framework axial coordination interfacial electron transfer iron phthalocyanine oxygen reduction reaction

Electronic structure and coexisting topological states in ferromagnetic and antiferromagnetic phases of MnBi_(2)Te_(4)quantum wires: 《Chinese Physics B》2025年第3期527-532,共6页Jian Li Zhu-Cai Yin Qing-Xu Li Jia-Ji Zhu; Project sponsored by the Natural Science Foundation of Chongqing,China(Grant No.CSTB2024NSCQMSX0736);the Special Project of Chongqing Technology Innovation and Application Development(Major Project)(Grant No.CSTB2024TIAD-STX0035);the Research Foundation of Institute for Advanced Sciences of CQUPT(Grant No.E011A2022328)。; We theoretically investigate the electronic structure of cylindrical magnetic topological insulator quantum wires in MnBi_(2)Te_(4).Our study reveals the emergence of topological surface states in the ferromagnetic ph...; 关键词：quantum wires MnBi_(2)Te_(4) magnetic topological insulator electronic structure

Mesoporous N-incorporated carbon with Ti single atom-regulated electronic structure as high performance cathodes for Li-S batteries: 《Nano Research》2025年第2期337-345,共9页Jiafeng Hu Yunfei Xiao Zhengguang Hu Guanghao He Zhongheng Zhu Fengping Xie Li Wang Li Zuo Yong Zhao; This work was financially supported by the National Natural Science Foundation of China(Nos.12175098 and 11727902);this research was supported by Jiangxi Provincial Innovation Talents of Science and Technology(No.20165BCB18003).; Lithium-sulfur(Li-S)batteries are considered as strong competitors for next-generation energy storage because of their high theoretical energy density.However,some challenges,such as shuttle effect of lithium polysulf...; 关键词：lithium-sulfur(Li-S)battery single atoms electronic structure catalyst kinetics

Optimizing electronic structure through point defect engineering for enhanced electrocatalytic energy conversion: 《Green Energy & Environment》2025年第1期109-131,共23页Wei Ma Jiahao Yao Fang Xie Xinqi Wang Hao Wan Xiangjian Shen Lili Zhang Menggai Jiao Zhen Zhou; supported by the National Natural Science Foundation of China(U21A20281);the Special Fund for Young Teachers from Zhengzhou University(JC23557030,JC23257011);the Key Research Projects of Higher Education Institutions of Henan Province(24A530009);the Project of Zhongyuan Critical Metals Laboratory(GJJSGFYQ202336).; Point defect engineering endows catalysts with novel physical and chemical properties,elevating their electrocatalytic efficiency.The introduction of defects emerges as a promising strategy,effectively modifying the e...; 关键词：Point defect engineering DOPING VACANCY ELECTROCATALYSIS Electronic structure

Layered metal carbo–selenide Nb2CSe2 with van der Waals interlayer coupling: 《Journal of Advanced Ceramics》2025年第1期101-110,共10页Junchao Wang Renfei Cheng Tao Hu Xinyue Tang Yan Liang Min Tian Ting Xiong Qiuhong Lu Qi Zhu Zhiqing Yang Xiaohui Wang Yanchun Zhou; supported by the Shenyang National Laboratory for Materials Science,Institute of Metal Research,Chinese Academy of Sciences,Basic and Applied Basic Research Program of Guangdong Province(No.2021B0301030003);Ji Hua Laboratory(No.X210141TL210)。; The stacking structure of Nb,CSe2,a newly synthesized layered metal carbo-selenide,was elucidated by scanning transmission electron microscopy.Nb,CSe2 features Se-Nb-C-Nb-Se quintuple atomic layers.These layers are st...; 关键词：MXene Nb2CSe2 crystal structure electronic structure elastic properties interlayer coupling Raman spectroscopy friction coefficient

QM/MM Based Study of Electronic Structure of Platinum Dihalides: 《Open Journal of Applied Sciences》2025年第1期305-328,共24页Anil Kumar Soni Swati Vishnu Kumar Sahu; In this research work, atomic and molecular orbitals based analysis has been made to see electronic structure of platinum halides (platinum dichloride, platinum dibromide, platinum diiodide and platinum difluride). Th...; 关键词：Platinum Dhalides Mulliken Population Analysis sd-Hybridization Molecular Orbital Diagram

高级检索 检索式检索

时间限定

期刊范围

学科限定全选

高级检索 检索式检索

时间限定

期刊范围

学科限定全选

ELECTRONIC_STRUCTURE

检索结果分析

下载全文

高级检索检索式检索

时间限定

期刊范围

学科限定全选

高级检索 检索式检索

时间限定

期刊范围

学科限定全选

ELECTRONIC_STRUCTURE

检索结果分析

下载全文

用户登录

高级检索检索式检索