ELECTRONIC_STRUCTURE

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相关作者：赵宇宏李群祥黄静王峰韩培德更多>>
相关机构：湘潭大学中北大学中国科学技术大学中南大学更多>>
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Anion modulate the morphological and electronic structure of NiFe-based electrocatalyst for efficient urea oxidation-assisted water electrolysis
《Journal of Materials Science & Technology》2024年第30期207-214,共8页Duowen Ma Yansong Jia Yang Li Haibin Yang Fengzhi Wang Xinyu Zheng Guining Shao Qi Xiong Zhihao Shen Min Liu Zirui Lou Chaohua Gu 
supported by the National Natural Science Foundation of China(No.22308322);the Science Foundation of Donghai Laboratory(No.DH-2022ZY0010);the R&D Project of State Grid Corporation of China(No.5108-202218280A-2-439-XG).
Renewable energy-driven water electrolysis is considered as an environmentally friendly hydrogen(H2)production technology.Replacing the oxygen evolution reaction(OER)with the urea oxidation reaction(UOR)is a more effe...
关键词：Urea oxidation reaction NiFe-based catalyst Hydrogen evolution Morphological and electronic structure Active sites 
Regulating the intrinsic electronic structure of carbon nanofibers with high-spin state Ni for sodium storage with high-power density
《Journal of Materials Science & Technology》2024年第4期16-23,共8页Zhijia Zhang Gang Xie Yuefang Chen Yanhao Wei Mengmeng Zhang Shulei Chou Yunxiao Wang Yifang Zhang Yong Jiang 
supported by the National Natural Science Foundation of China(Nos.52271011,52102291).
Carbon nanofibers(CNFs)with high specific surface area show great potential for sodium storage as a hard carbon material.Herein,CNFs anchored with Ni nanoparticles(CNFs/Ni)were prepared through chemical vapor depositi...
关键词：Carbon nanofibers Ni nanoparticles High-spin state Sodium-ion batteries Anode materials Density functional theory calculation 
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 
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 
Engineering the electronic structure on MXenes via multidimensional component interlayer insertion for enhanced electromagnetic shielding被引量：2
《Journal of Materials Science & Technology》2023年第7期149-156,共8页Mengqiu Huang Lei Wang Biao Zhao Guanyu Chen Renchao Che 
This work was financially supported by the National Natural Science Foundation of China(Nos.52231007,51725101,11727807,52271167,61790581 and 22088101);the Ministry of Science and Technology of China(973 Project,Nos.2021YFA1200600 and 2018YFA0209100);the Shanghai Excellent Academic Leaders Program(19XD1400400);Shanghai Sailing Program(No.21YF1401800);Key Research Project of Zhejiang Lab(No.2021PE0AC02).
MXene-based functional electromagnetic interference(EMI)shielding films are highly desirable for mod-ern integrated electronic and telecommunication systems in aerospace,military,artificial intelligence,and smart and ...
关键词：Ti_(3)C_(2)T_(x)MXene Magnetic modulation Electromagnetic-interference shielding Nickel flakes Freestanding film 
Engineering the interface of porous CoMoO_(3)nanosheets with Co_(3)Mo nanoparticles for high-performance electrochemical overall water splitting
《Journal of Materials Science & Technology》2023年第6期184-192,共9页Haibin Ma Xuejing Yang Zhili Wang Qing Jiang 
This work was financially supported by the National Natural Science Foundation of China(Nos.51901083 and 52130101);the Fundamental Research Funds for the Central Universities,and the funds of“World-class Universities and World-class Disciplines”.
The design of high-performance electrocatalysts for alkaline water splitting is of significant importance for the development of a sustainable hydrogen economy.Herein,heterostructured Co_(3)Mo nanoparti-cles/porous Co...
关键词：Interface engineering HETEROSTRUCTURES Interfacial electronic structure Hydrogen evolution reaction Overall water splitting 
Tune the electronic structure of MoS_(2)homojunction for broadband photodetection被引量：2
《Journal of Materials Science & Technology》2022年第24期61-68,共8页Rui Tao Xianlin Qu Zegao Wang Fang Li Lei Yang Jiheng Li Dan Wang Kun Zheng Mingdong Dong 
financially supported by the National Natural Science Foundation of China(No.52002254);the Sichuan Science and Technology Foundation(Nos.2020YJ0262,2021YFH0127);the Chunhui plan of Ministry of Education;the Fundamental Research Funds for the Central Universities(No.YJ201893);the Open-Foundation of Key Laboratory of Laser Device Technology;the China North Industries Group Corporation Limited(No.KLLDT202104);State Key Lab of Advanced Metals and Materials(No.2019-Z03)。
Due to the weak absorption and low light-matter interaction of MoS_(2),intrinsic MoS_(2)photodetector usually has low photoresponse,thus limiting its real application.Herein,MoS_(2)homojunction was constructed by usin...
关键词：Molybdenum disulfide P-type doping HOMOJUNCTION PHOTORESPONSE TUNABILITY 
Effects of interfacial wettability on arc erosion behavior of Zn_(2)SnO_(4)/Cu electrical contacts
《Journal of Materials Science & Technology》2022年第14期64-75,共12页Wei-Jian Li Zi-Yao Chen Hao Jiang Xiao-Han Sui Cong-Fei Zhao Liang Zhen Wen-Zhu Shao 
financially supported by the National Natural Science Foundation of China(Nos.51877048 and 11875046)。
Interface wettability is a vital role in directly impacting the electrical contact characteristics of oxides/Cubased composites under arc erosion.Exploring its influence mechanism,especially at atomic/electronic scale...
关键词：Zn_(2)SnO_(4)/Cu electrical contacts Arc erosion WETTABILITY DFT calculations Electronic structure 
Regulation of impedance matching feature and electronic structure of nitrogen-doped carbon nanotubes for high-performance electromagnetic wave absorption被引量：4
《Journal of Materials Science & Technology》2022年第13期1-9,共9页Fenghui Cao Jia Xu Minjie Liu Feng Yan Qiuyun Ouyang Xitian Zhang Xiaoli Zhang Yujin Chen 
financially supported by the National Natural Science Foundation China(Grant No.51972077);the Fundamental Research Funds for the Central Universities(Grant Nos.3072020CF2518,3072020CFT2505,3072021CFT2506,3072021CF2523 and 3072021CF2524);Heilongjiang Touyan Innovation Team Program,Natural Science Foundation of Daqing Normal University(Grant No.19ZR05);Daqing City Directive Science and Technology Plan Project(Grant No.zd-2020-04);Heilongjiang Provincial Natural Resources Foundation Joint Guide Project(Grant No.LH2020E098)。
In this study,we developed a facile method to fabricate three-dimensional(3D)structures composed of FeNi alloy nanoparticles encapsulated in N-doped carbon nanotubes that grafted on the SiO_(2) spheres(Fe_(x)Ni_(y)@NC...
关键词：FeNi alloy CNTS SILICA Nitrogen doping Electromagnetic wave absorption 
Optimized Mn and Bi co-doping in SnTe based thermoelectric material:A case of band engineering and density of states tuning被引量：1
《Journal of Materials Science & Technology》2021年第26期76-86,共11页Samuel Kimani Kihoi Joseph Ngugi Kahiu Hyunji Kim U.Sandhya Shenoy D.Krishna Bhat Seonghoon Yi Ho Seong Lee 
supported by grants from the National Research Foundation(NRF)of Korea(No.2018R1A41A1022260),funded by the Korean government(MSIT);the grant in the form of DST INSPIRE Faculty award from Department of Science and Technology,Government of India。
Tin telluride(SnTe)overwhelmingly continues to be studied owing to its promising thermoelectric properties,tunable electronic structure,and its potential as an alternate to toxic lead telluride(PbTe)based materials.In...
关键词：SnTe THERMOELECTRIC Electronic structure engineering SOLUBILITY Thermal conductivity 
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