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
- 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
- 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
- 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
- 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 η-Fe2C被引量：0收藏
- 作者：He, Bing-Ling Wang, Jin-Long Tian, Zhi-Xue Jiang, Li-Juan Song, Wei Wang, Bin
- 机构： College of Physics and Electronic Engineering; College of Physics and Information Engineering
- 来源：Chinese Physics B 2016
- 关键词：Binding energy - Diffusion barriers - Ferrite - Ferritic stainless steel
- First-principles insight of hydrogen dissolution and diffusion properties in γ-Al2O3被引量：0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： Institute of Plasma Physics; University of Science and Technology of China; Department of Physics
- 来源：Journal of Nuclear Materials 2023
- 关键词：Alumina - Aluminum oxide - Atoms - Calculations - Diffusion barriers - Dissolution - Hydrogen
