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北京航空航天大学 [184]

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期刊论文 [175]

会议论文 [9]

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限定条件	专题：北京航空航天大学第一署名单位第一作者单位通讯作者单位

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	First principles investigation on anomalous lattice shrinkage of W alloyed rock salt GeTe 期刊论文 Journal of Physics and Chemistry of Solids, 2020, 卷号: 137 作者: Wang, Guanjie; Zhou, Jian; Sun, Zhimei 收藏 \| 浏览/下载：32/0 \| 提交时间：2019/12/30
	Lattice Thermal Conductivity of mGeTe center dot nSb(2)Te(3) Phase-Change Materials: A First-Principles Study 期刊论文 CRYSTALS, 2019, 卷号: 9 作者: Pan, Yuanchun; Li, Zhen; Guo, Zhonglu 收藏 \| 浏览/下载：5/0 \| 提交时间：2019/12/30 phase-change materials mGeTe center dot nSb(2)Te(3) lattice thermal conductivity first-principles
	Wetting mechanism of CMAS melt on YSZ surface at high temperature: First-principles calculation 期刊论文 APPLIED SURFACE SCIENCE, 2019, 卷号: 483, 页码: 811-818 作者: Li, Bingtian; Chen, Zheng; Zheng, Haizhong; Li, Guifa; Li, Huijun 收藏 \| 浏览/下载：3/0 \| 提交时间：2019/12/30 CMAS melt YSZ thermal barrier coatings Wettability Micromechanism Density functional theory
	Realization of Strained Stanene by Interface Engineering 期刊论文 JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2019, 卷号: 10, 页码: 1558-1565 作者: Liu Yani; Gao Nan; Zhuang Jincheng; Liu Chen; Wang Jiaou 收藏 \| 浏览/下载：129/0 \| 提交时间：2019/12/30 Binary alloys Calculations Electronic structure Phonons Quantum Hall effect Raman spectroscopy Scanning tunneling microscopy Spin Hall effect Substrates Tensile strain Tin alloys Topological insulators Au (111) substrates Crystalline structure First-principles calculation In-situ Raman spectroscopy Interface engineering Quantum Spin hall effect Structural evolution Two-dimensional materials Gold alloys
	Weyl-loop half-metal in Li-3(FeO3)(2) 期刊论文 PHYSICAL REVIEW B, 2019, 卷号: 99 作者: Chen, Cong; Yu, Zhi-Ming; Li, Si; Chen, Ziyu; Sheng, Xian-Lei 收藏 \| 浏览/下载：10/0 \| 提交时间：2019/12/30 Calculations Fermi level Ground state Spin polarization Ferromagnetic ground state First-principles calculation Fully spin-polarized Non-magnetic materials Nonmagnetic state Spin-orbit couplings Symmetry analysis Topological state Metals
	Neutral oxygen-vacancy defect in cubic boron nitride: A plausible qubit candidate 期刊论文 APPLIED PHYSICS LETTERS, 2019, 卷号: 114 作者: Bian, Guodong; Yuan, Heng; Zhang, Ning; Xu, Lixia; Zhang, Jixing 收藏 \| 浏览/下载：30/0 \| 提交时间：2019/12/30 Calculations Cubic boron nitride Ground state III-V semiconductors Oxygen Quantum optics Qubits Computing applications Cubic boron nitride (cBN) First-principles calculation Hyperfine interactions Neutral oxygen vacancy Oxygen vacancy defects Quantum-information processing Zero-field splittings Oxygen vacancies
	Contacting MoS2 to MXene: Vanishing p-Type Schottky Barrier and Enhanced Hydrogen Evolution Catalysis 期刊论文 JOURNAL OF PHYSICAL CHEMISTRY C, 2019, 卷号: 123, 页码: 3719-3726 作者: You, Jinxuan; Si, Chen; Zhou, Jian; Sun, Zhimei 收藏 \| 浏览/下载：66/0 \| 提交时间：2019/12/30 Calculations Carbides Chromium compounds Hydrogen Interface states Layered semiconductors Molybdenum compounds Nanocatalysts Nitrogen compounds Schottky barrier diodes Transition metals Electronic device Fermi level pinning First-principles calculation High work function Hydrogen evolution Hydrogen evolution reactions Schottky barriers Transition metal carbide Vanadium compounds
	Two-Dimensional Amorphous TiO2 Nanosheets Enabling High-Efficiency Photoinduced Charge Transfer for Excellent SERS Activity 期刊论文 JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2019, 卷号: 141, 页码: 5856-5862 作者: Wang, Xiaotian; Shi, Wenxiong; Wang, Shaoxiong; Zhao, Hewei; Lin, Jie 收藏 \| 浏览/下载：58/0 \| 提交时间：2019/12/30 Amorphous semiconductors Charge transfer Coordination reactions Density functional theory Electronic density of states Energy gap Molecules Nanosheets Raman scattering Surface scattering Titanium dioxide Charge transfer complex Crystalline counterpart Electrostatic potentials First-principles density functional theory Kelvin probe force microscopy Photoinduced charge transfer Semiconductor nanomaterials Surface enhanced Raman Scattering (SERS) Substrates
	Theoretical investigation of lithium ions' nucleation performance on metal-doped Cu surfaces 期刊论文 JOURNAL OF ENERGY CHEMISTRY, 2019, 卷号: 39, 页码: 160-169 作者: Fan, Yanchen; Wang, Tianshuai; Legut, Dominik; Zhang, Qianfan 收藏 \| 浏览/下载：12/0 \| 提交时间：2019/12/30 First-principles calculations Metal-doped Cu surfaces Lithium metal anode Nucleation mechanism Dendrite growth
	Impact of metal ns(2) lone pair on luminescence quantum efficiency in low-dimensional halide perovskites 期刊论文 PHYSICAL REVIEW MATERIALS, 2019, 卷号: 3 作者: Shi, Hongliang; Han, Dan; Chen, Shiyou; Du, Mao-Hua 收藏 \| 浏览/下载：6/0 \| 提交时间：2019/12/30 Calculations Dissociation Electronic structure Energy dissipation Energy efficiency Excited states Excitons Ground state Inorganic compounds Lead compounds Luminescence Metal halides Metals organic-inorganic materials Perovskite Quantum chemistry Tin compounds Excited-state properties First-principles calculation Ground state electronic structure Hybrid organic-inorganic Luminescence quantum efficiency Metal halide clusters Photoluminescence quantum efficiency Structural distortions Quantum efficiency

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