成果/Result
- Interaction of Pd single atoms with different CeO2 crystal planes: A first-principles study被引量:13收藏
- 作者:He, Bingling Wang, Jinlong Ma, Dongwei Tian, Zhixue Jiang, Lijuan Xu, Yan Cheng, Sujun
- 机构:Xinxiang Univ;Anyang Normal Univ;Hebei Normal Univ
- 来源:APPLIED SURFACE SCIENCE 2018
- 关键词:Crystal-plane dependence Pd single atoms CeO2 surfaces First-principles calculations
- Molecular dynamics study on the origin of fuzz structure on tungsten surface被引量:10收藏
- 作者:Wang, Jinlong Liu, Daping Guo, Zhichao He, Bingling Dang, Wenqiang
- 机构:Xinxiang Univ;Tianshui Normal Univ
- 来源:JOURNAL OF NUCLEAR MATERIALS 2021
- 关键词:Helium cluster Tungsten Fuzz Molecular dynamics simulation
- Study of water adsorption on graphene edges被引量:10收藏
- 作者:Jiang, Lijuan Wang, Jinlong Liu, Peng Song, Wei He, Bingling
- 机构:Xinxiang Univ;Tsinghua Univ
- 来源:RSC ADVANCES 2018
- 关键词:Adsorption - Work function
- H2O adsorption on the Au and Pd single atom catalysts supported on ceria: A first-principles study被引量:7收藏
- 作者:He, Bingling Shen, Jiansheng Ma, Dongwei Wang, Jinlong Cheng, Sujun Tian, Zhixue
- 机构:Xinxiang Univ;Anyang Normal Univ;Hebei Normal Univ
- 来源:APPLIED SURFACE SCIENCE 2018
- 关键词:First-principles calculations Single-atom catalyst CeO2 H2O adsorption Dissociation
- First-principles study on the structures and electronic properties of graphene-supported Ni-n (n=1-6) clusters被引量:6收藏
- 作者:Song, Wei Wang, Jin-long Wang, Bin Hu, Wei-ping Wang, Ying
- 机构:Xinxiang Univ;Henan Univ;Chinese Acad Sci
- 来源:MOLECULAR SIMULATION 2018
- 关键词:First-principle graphene magnetic properties charge transfer
- Size effect of He clusters on the interactions with self-interstitial tungsten atoms at different temperatures*被引量:4收藏
- 作者:Wang, Jinlong Dang, Wenqiang Liu, Daping Guo, Zhichao
- 机构:Xinxiang Univ;Tianshui Normal Univ
- 来源:CHINESE PHYSICS B 2020
- 关键词:helium cluster self-interstitial tungsten molecular dynamics simulation
- Structural, electronic and magnetic properties of NM-doped Ni clusters (NM=Cu, Ag, Au)被引量:4收藏
- 作者:Song, Wei Fu, Zhe Wang, Jin-long Zhang, Wei
- 机构:Henan Inst Technol;Xinxiang Univ;Jilin Univ
- 来源:JOURNAL OF MOLECULAR STRUCTURE 2019
- 关键词:First-principle Magnetic property Charge transfer Relative stability
- First-principles studies on the doping effect of Nin-1TM (n=13, 19, 55)被引量:2收藏
- 作者:Song, Wei Kuang, Tao Fu, Zhe Wang, Jin-long Zhang, Wei Ma, Peng-fei
- 机构:Henan Inst Technol;Xinxiang Univ;Xinxiang Univ;Jilin Univ
- 来源:COMPUTATIONAL AND THEORETICAL CHEMISTRY 2019
- 关键词:Density functional theory Magnetic property Charge transfer Dope Density of states
- First-Principles Study of the Structures and Electronic Properties for NinGe (n=19-29) Clusters被引量:2收藏
- 作者:Song, Wei Fu, Zhe Liu, Tian-hui Wang, Jin-long Wang, Bin Zhang, Wei Yuan, Yuan
- 机构:Xinxiang Univ;Jilin Univ;Changchun Univ Technol;Elect Informat Prod Supervis Inspect Inst Jilin P
- 来源:JOURNAL OF CLUSTER SCIENCE 2019
- 关键词:First-principle Magnetic property Charge transfer Ionization potential Electron affinity
- First-principles insight of hydrogen dissolution and diffusion properties in ?-Al2O3被引量:2收藏
- 作者:Pan, Xin-Dong Li, Xiao-Chun Wang, Jinlong Xu, Bai-Chuan Lyu, Yi-Ming Xu, Yu-Ping Zhao, Xueli Zhou, Hai -Shan Luo, Guang-Nan
- 机构:Chinese Acad Sci;Univ Sci & Technol China;Xinxiang Univ
- 来源:JOURNAL OF NUCLEAR MATERIALS 2023
- 关键词:&gamma -Al (2) O (3) First-principles theory Vibration Hydrogen Permeation
- Molecular dynamics study on melting point of tungsten nanostructures被引量:1收藏
- 作者:Wang, Jinlong Chai, Jun Dang, Wenqiang Pan, Xin-Dong Li, Xiao-Chun Luo, Guang-Nan
- 机构:Xinxiang Univ;Chinese Acad Sci;Tsinghua Univ;Tianshui Normal Univ
- 来源:NUCLEAR MATERIALS AND ENERGY 2022
- 关键词:Nano-structure Tungsten Melting point Molecular dynamics
- First-principles study of He trapping in eta-Fe2C被引量:1收藏
- 作者:He, Bing-Ling Wang, Jin-Long Tian, Zhi-Xue Jiang, Li-Juan Song, Wei Bin Wang
- 机构:Xinxiang Univ;Hebei Normal Univ
- 来源:CHINESE PHYSICS B 2016
- 关键词:He bubble eta-Fe2C ferritic steels first-principles
- Structures and Electronic Properties of Ni-Al Alloy Clusters from First-Principles Calculations被引量:1收藏
- 作者:Song, Wei Wang, Bin Wang, Jin-long Fu, Ling Pu, Chun-ying Xu, Xiu-mei Zhu, Yong-sheng He, Chao-zheng Li, Gen-quan
- 机构:Xinxiang Univ;Nanyang Normal Univ;Nanyang Normal Univ
- 来源:JOURNAL OF CLUSTER SCIENCE 2017
- 关键词:Ni-Al alloy clusters First-principle Magnetic properties Charge transfer Density of states
- Atomic study of the trapped and migration patterns of point defects around screw dislocation in tungsten被引量:1收藏
- 作者:Xu, Bai-Chuan Li, Xiao-Chun Wang, Jinlong Zhao, Xueli Li, Ya-Wen Pan, Xin-Dong Zhou, Hai-Shan Luo, Guang-Nan
- 机构:Chinese Acad Sci;Univ Sci & Technol China;Xinxiang Univ
- 来源:NUCLEAR MATERIALS AND ENERGY 2023
- 关键词:Screw dislocation Vacancy Self -interstitial atom Binding energy Diffusion mechanism
- First-Principles Study of the Structures and Electronic Properties of Ni Aln-1 (n=2-20) Clusters被引量:0收藏
- 作者:Song, W. Wang, B. Li, H-Q. Wang, J-L. He, C-Z.
- 机构:Xinxiang Univ;Nanyang Normal Univ;Xinxiang Univ
- 来源:JOURNAL OF STRUCTURAL CHEMISTRY 2018
- 关键词:magnetic property charge transfer ionization potential electron affinity