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

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

First-principles study on the electronic structure of Pb_(10−x)Cu_(x)(PO_(4))_(6)O(x=0,1)被引量：2: 《Journal of Materials Science & Technology》2024年第4期66-70,共5页Junwen Lai Jiangxu Li Peitao Liu Yan Sun Xing-Qiu Chen; Recently,Lee et al.claimed the experimental discovery of room-temperature ambient-pressure super-conductivity in a Cu-doped lead-apatite(LK-99)(arXiv:2307.12008,arXiv:2307.12037).Remarkably,the claimed superconductivi...; 关键词：First-principles calculations Density functional theory Electronic structur e Superconductivity Flat bands Strongly correlated electrons

Co_(2)P/CoP heterostructures with significantly enhanced performance in electrocatalytic hydrogen evolution reaction:Synthesis and electron redistribution mechanism被引量：1: 《Nano Research》2023年第11期12830-12839,共10页Baoshan Liu Boan Zhong Feng Li Jing Liu Liping Zhao Peng Zhang Lian Gao; supported by the fundings from the National Natural Science Foundation of China(Nos.51972210,52111530187,and 82172443);Medical-Engineering Funding of Shanghai Jiao Tong University(No.YG2021QN91).; Heterostructures are often constructed to modulate the electronic states of the two catalysts,achieving high-performance in alkaline hydrogen evolution reaction(HER).Various mechanisms have been proposed for the heter...; 关键词：HETEROSTRUCTURE electronic structure active site intermediate depleting density functional theory

Predicting novel atomic structure of the lowest-energy Fe_(n)P_(13-n)(n=0-13)clusters:A new parameter for characterizing chemical stability: 《Chinese Physics B》2023年第4期574-581,共8页蒋元祺彭平; Project supported by the National Natural Science Foundation of China(Grant Nos.52263025 and 51871096);the Scientific Research Project of the Education Department of Jiangxi Province,China(Grant Nos.GJJ2202021and GJJ2202011);the Natural Science Foundation of Jiangxi Province;China(Grant Nos.20202BAB204004 and20171BAB216001);the Qinglan Scholars Program;Scientific Research Project(Grant No.22XJSK04)of Nanchang Normal University。; A series of novel atomic structure of lowest-energy Fe_(n)P_(13-n)(n=0-13)clusters via density functional theory(DFT)calculations and an unbiased structure search using Crystal structure AnaLYsis by Particle Swarm Opt...; 关键词：Fe-P cluster density functional theory(DFT) ground-state structure electronic structure

Unveiling structural features and mechanical properties of amorphous Si_(2)BC_(3)N by density functional theory: 《Journal of Materials Science & Technology》2023年第8期103-112,共10页Yuchen Liu Yu Zhou Dechang Jia Zhihua Yang Daxin Li Bin Liu; This work was financially supported by the National Natu-ral Science Foundation of China(Nos.52002092,51832002,and 52172071);the Program for Professor of Special Appointment(East-ern Scholar)at Shanghai Institutions of Higher Learning(No.GZ2020012);Key Research Project of Zhejiang Laboratory(No.2021PE0AC02);Heilong Jiang Natural Science Fund for Young Scholars(No.YQ2021E017)。; The atomic structural features and the mechanical properties of the Si_(2)BC_(3)N are investigated employ-ing ab-initio calculations.The chemical bonding types and their proportion are clarified.The tetrahedral and tr...; 关键词：Amorphous SiBCN Ab-initio calculations Atomic structure Electronic structure Mechanical properties

Electronic structure of the rare-earth superstoichiometric dihydride GdH_(2.25)被引量：2: 《Rare Metals》2022年第8期2794-2799,共6页Zahia Ayat Aomar Boukraa Abdelouahab Ouahab Bahmed Daoudi; financially supported by the Algerian Ministry of Higher Education; With the WIEN2 k simulation code,ab initio calculations of electronic structure and of equilibrium properties for the superstoichiometric rare-earth dihydride GdH_(2.25)using the full-potential linearized augmented pl...; 关键词：Rare-earth dihydrides GdH_(2.25) Density functional theory Ab initio calculations WIEN2k

First principles investigation on Li or Sn codoped hexagonal tungsten bronzes as the near-infrared shielding material被引量：1: 《Chinese Physics B》2022年第5期677-682,共6页Bo-Shen Zhou Hao-Ran Gao Yu-Chen Liu Zi-Mu Li Yang-Yang Huang Fu-Chun Liu Xiao-Chun Wang; The 52%energy of the solar radiation is contributed by near-infrared radiation(NIR,780-2500 nm).Therefore,the material design for the energy-saving smart window,which can effectively shield NIR and has acceptable visi...; 关键词：density functional theory electronic structure near-infrared radiation shielding material

Electronic structure and optical properties of non-metallic modified graphene:a first-principles study被引量：1: 《Communications in Theoretical Physics》2022年第3期70-76,共7页Jing-tao Huang Yong Liu Zhong-hong Lai Jin Hu Fei Zhou Jing-chuan Zhu; supported by the China Postdoctoral Science Foundation(No.2019M651281)。; In this paper,the electronic structure and stability of the intrinsic,B-,N-,Si-,S-doped graphene are studied based on first-principles calculations of density functional theory.Firstly,the intrinsic,B-,N-,Si-,S-doped ...; 关键词：GRAPHENE Non-metallic Electronic structure Optical properties Density functional theory

First-principles study of structural and opto-electronic characteristics of ultra-thin amorphous carbon films: 《Chinese Physics B》2022年第1期434-444,共11页Xiao-Yan Liu Lei Wang Yi Tong; the NUPTSF(Grant Nos.NY220078,NY217116,and NY220112);the Science Foundation of Jiangsu Province,China(Grant Nos.BK20211273 and BZ2021031);the Dual Innovative Doctor of Jiangsu Province,China(Grant No.JSSCBS20210522);the Institution of Jiangsu Province,China(Grant No.20KJB510014);the National and Local Joint Engineering Laboratory of RF and Micro-assembly(Grant No.KFJJ20200203);the Industry Program of Huzhou City(Grant No.2020GG03);the Distinguished Professor Grant of Jiangsu Province,China(Grant No.RK106STP18003);the Jiangsu Province Research Foundation,China(Grant Nos.NLXZYZZ219001 and SZDG2020009);the National Natural Science Foundation of China(Grant No.61964012);the Foundation of Jiangxi Science and Technology Department,China(Grant No.20202ACBL212001).; Most amorphous carbon(a-C)applications require films with ultra-thin thicknesses;however,the electronic structure and opto-electronic characteristics of such films remain unclear so far.To address this issue,we develo...; 关键词：amorphous carbon DENSITY optical properties electronic structure density functional theory

A DFT study of Ti_(3)C_(2)O_(2)MXenes quantum dots supported on single layer graphene:Electronic structure an hydrogen evolution performance被引量：4: 《Frontiers of physics》2021年第5期157-164,共8页Qingquan Kong Xuguang An Lin Huang Xiaolian Wang Wei Feng Siyao Qiu Qingyuan Wang Chenghua Sun; The authors would like to acknowledge funding from the National Natural Science Foundation of China(Grant No.11832007);China Postdoctoral Science Foundation(Grant No.2018M631082);Application and Foundation Research Projects of Sichuan Province(Grant Nos.2018JY0062 and 2019YJ0668);Guangdong Innovation Research Team for Higher Education(Grant No.2017KCXTD030);High-level Talents Project of Dongguan University of Technology(Grant No.KCYKYQD2017017).; Heterojunction structure has been extensively employed for the design of novel catalysts.In the present study,density functional theory was utilized to investigate the electronic structure and hydrogen evolution perfo...; 关键词：MXenes quantum dots density functional theory(DFT) hydrogen evolution reaction(HER)

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