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
- 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
- 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
- 常压下籽晶诱导翡翠玻璃料晶化被引量：1收藏
- 作者：郭志超 藏金浩 王金龙 刘岩
- 机构：新乡学院物理与电子工程学院;郑州大学物理工程学院
- 来源：《材料导报》 2020
- 关键词：翡翠 籽晶 玻璃质 矿物晶体 诱导晶化
- 摘要：天然翡翠可能是形成于高温、高压条件,人工合成翡翠就普遍依此展开探索,但苛刻的制备条件使得人造翡翠成本较高,产品也都未商业化。合成翡翠的困难是实现翡翠玻璃质到硬玉矿物晶体的转化,这也是研究开发低成本合成翡翠的瓶颈。鉴于此,...
- 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
- 里德伯钠原子经绝热快速通道的布居数跃迁相干控制被引量：0收藏
- 作者：蒋利娟 王金龙 赫丙玲 田时振
- 机构：新乡学院物理与电子工程学院
- 来源：《原子与分子物理学报》 2021
- 关键词：B-样条 含时多态展开方法 相干控制 微波脉冲
- 摘要：运用含时多态展开方法和B-样条函数研究了啁啾频率微波场中里德伯钠原子的量子态之间的布居数迁移.计算了里德伯钠原子n=70-77的开普勒频率.计算了在不同的微波场中六个态的布居数从n=70到n=77随时间的迁移,布居数跃迁...
- 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
- 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
- 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
