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	The controllable electronic characteristics and Schottky barrier of graphene/GaP heterostructure via interlayer coupling and in-plane strain 期刊论文 Materials Science and Engineering B: Solid-State Materials for Advanced Technology, 2022, 卷号: 284 作者: Lu, Xuefeng; Li, Lingxia; Guo, Xin; Ren, Junqiang; Xue, Hongtao 收藏 \| 浏览/下载：15/0 \| 提交时间：2022/08/09 Binding energy Calculations Gallium compounds Graphene Ground state Heterojunctions III-V semiconductors Ohmic contacts Schottky barrier diodes Strain Thermoelectric equipment Van der Waals forces Electronic characteristics Graphene/GaP In-plane strains Interlayer coupling Layer-spacing Micro/nano Nanoelectronic devices P-type Schottky barriers Schottky contacts
	Insight into electronic structure and photocatalytic character of GaSe/MoS2 heterostructure by first-principles investigation 期刊论文 Solid State Communications, 2022, 卷号: 353 作者: Lu, Xuefeng; Cui, Tingshu; Ren, Junqiang; Guo, Xin; Xue, Hongtao 收藏 \| 浏览/下载：32/0 \| 提交时间：2022/08/09 Binding energy Calculations Energy gap Gallium compounds Hydrogen production Lattice mismatch Layered semiconductors Light Light absorption Molybdenum compounds Photocatalytic activity Redox reactions Selenium compounds Semiconductor quantum wells Electronic.structure First principle calculations First principles First-principles investigations Gase/MoS2 Photo-catalytic Photocatalytic character Photocatalytic property Structure property Two-dimensional
	First-principles study on the design of metal-decorated N-doped γ-graphyne as a high capacity CH4adsorbent 期刊论文 Journal of Applied Physics, 2022, 卷号: 132, 期号: 6 作者: Zhao, Qiuyu; Ju, Jiaming; Chen, Yuhong; Xu, Wenhui; Zhao, Yingjie 收藏 \| 浏览/下载：15/0 \| 提交时间：2022/09/22 Adsorption Atoms Binding energy Carbon nitride Chemical bonds Doping (additives) Electric fields Substrates Titanium Adsorption energies Charged substrates First-principle study Graphyne High capacity Inter-molecular forces N-doped Negative charge Negatively charged Ti atoms
	First Principle Study on Effects of Al and Fe Doping on Properties of Cr20Ni80 Electrothermal Alloy 期刊论文 Cailiao Daobao/Materials Reports, 2022, 卷号: 36, 期号: 11 作者: Li, Yamin; Zhang, Yaoyao; Zhou, Shengrui; Liu, Hongjun 收藏 \| 浏览/下载：15/0 \| 提交时间：2022/07/20 Aluminum Binary alloys Binding energy Calculations Chromium alloys Iron alloys Al-doping Cr20ni80 electrothermal alloy Elastic properties Fe doping First principles First-principle study Formation heat Property Super cell Supercell model
	Engineering novel Ni2-XCoxP structures for high performance lithium-ion storage 期刊论文 Energy Storage Materials, 2022, 卷号: 48, 页码: 20-34 作者: Li, Feng-Feng; Gao, Jian-Fei; He, Zheng-Hua; Brandon, Nigel; Li, Xiaohong 收藏 \| 浏览/下载：19/0 \| 提交时间：2022/04/21 Anodes Binding energy Cobalt compounds Electrochemical electrodes Ions Lithium Morphology Nanostructures Nickel compounds Storage (materials) Co-doping Cobalt phosphide Controllable doping Cycle stability Electrode material Lithium storages Morphology evolution Nickel-cobalt phosphide P-structures Self-induction and self-assembly
	Tribological Properties of Ball-Milling Graphene Films on Spherical Metal Surfaces 期刊论文 Mocaxue Xuebao/Tribology, 2022, 卷号: 42, 期号: 3, 页码: 501-509 作者: Hou, Deliang; Xiao, Rongzhen; Sun, Chaojie; Yang, Xing; Wang, Yongfu 收藏 \| 浏览/下载：12/0 \| 提交时间：2022/07/20 Additives Adhesion Adhesives Ball milling Binding energy Carbon films Graphene Milling (machining) Morphology Thin films Tribology Van der Waals forces Wear of materials Ball milling time Diamond-like carbon film Diamond-like film Friction contact Graphene films Metal surfaces Spherical metal surface Steel balls Structure evolution Tribological properties
	First-principles study on the atomic structure of two-dimensional molybdenum boride 期刊论文 Materials Research Express, 2022, 卷号: 9, 期号: 3 作者: Ma,Linlin; Cheng,Chao; Zhang,Xin; Wang,Shaoqing 收藏 \| 浏览/下载：12/0 \| 提交时间：2022/07/01 2D molybdenum boride binding energy chemical bonding atomic structure stability low-dimensional material
	Machine learning the nuclear mass 期刊论文 NUCLEAR SCIENCE AND TECHNIQUES, 2021, 卷号: 32, 期号: 10, 页码: 13 作者: Gao, Ze-Peng; Wang, Yong-Jia; Lu, Hong-Liang; Li, Qing-Feng; Shen, Cai-Wan 收藏 \| 浏览/下载：44/0 \| 提交时间：2021/12/08 Nuclear mass Machine learning Binding energy Separation energy
	Effects of Zr-Re/W co-segregation behavior on the thermodynamic stability and fracture strength of γ-Ni/γ'-Ni3Al interface 期刊论文 Physics Letters, Section A: General, Atomic and Solid State Physics, 2021, 卷号: 408 作者: Ahmed, Fawaz Alnoman Mohammed; Xue, Hong-Tao; Tang, Fu-Ling; Ren, Jun-Qiang; Lu, Xue-Feng 收藏 \| 浏览/下载：17/0 \| 提交时间：2022/02/17 Binding energy Calculations Density functional theory Fracture Fracture toughness Nickel Nickel alloys Segregation (metallography) Single crystals Binding strength Co-segregation Density-functional-theory First principle calculations Formation energies Interfacial fracture Ni$-3$/Al Nickel-based single-crystal superalloy Pseudogaps Γ-ni/γ'-ni3al phase interface
	Molecular simulation studies of the interactions between the human/ pangolin/cat/bat ACE2 and the receptor binding domain of the SARS-CoV-2 spike protein 期刊论文 BIOCHIMIE, 2021, 卷号: 187, 页码: 1-13 作者: Ma, Shaojie; Li, Hui; Yang, Jun; Yu, Kunqian 收藏 \| 浏览/下载：68/0 \| 提交时间：2021/08/17 SARS-CoV-2 ACE2 Molecular simulation Binding energy Animal hosts

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