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科研机构

兰州理工大学 [3]

大连理工大学 [2]

山东大学 [2]

安徽大学 [2]

北京航空航天大学 [1]

长春光学精密机械与物... [1]

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期刊论文 [11]

发表日期

2019 [11]

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发表日期：2019

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	First-principle Study of the Effects of Cu Doped on γ' Phase 期刊论文 Cailiao Daobao/Materials Reports, 2019, 卷号: 33, 期号: 9, 页码: 3085-3088 作者: Li, Yamin; Jiang, Lu; Zhao, Wang; Chen, Yinping 收藏 \| 浏览/下载：9/0 \| 提交时间：2020/11/14 Aluminum Binary alloys Calculations Electronic structure Nickel Nickel compounds Calculation results Density difference First principles First-principle study Formation enthalpy Inconel 718 alloy Orbital hybridization Plane wave methods
	First-principle Study of the Effects of Cu Doped on γ' Phase 期刊论文 Cailiao Daobao/Materials Reports, 2019, 卷号: 33, 期号: 9, 页码: 3085-3088 作者: Li, Yamin; Jiang, Lu; Zhao, Wang; Chen, Yinping 收藏 \| 浏览/下载：1/0 \| 提交时间：2020/11/14 Aluminum Binary alloys Calculations Electronic structure Nickel Nickel compounds Calculation results Density difference First principles First-principle study Formation enthalpy Inconel 718 alloy Orbital hybridization Plane wave methods
	Point defects in group III nitrides: A comparative first-principles study 期刊论文 JOURNAL OF APPLIED PHYSICS, 2019, 卷号: 125 作者: Gao, Yinlu; Sun, Dan; Jiang, Xue; Zhao, Jijun 收藏 \| 浏览/下载：81/0 \| 提交时间：2019/12/02 Aluminum nitride Binary alloys Calculations Density functional theory Energy gap Gallium nitride III-V semiconductors Nitrides Point defects Semiconductor devices Semiconductor doping Time varying systems, Defect configurations Diffusion properties Donor and acceptor First-principles study Migration barriers Native point defects Self-compensation effects Wide-bandgap semiconductor devices, Wide band gap semiconductors
	First-principles study of crystal-face specificity in surface properties of Fe-rich Fe-Cr alloys 期刊论文 PHYSICAL REVIEW MATERIALS, 2019, 卷号: 3 作者: Li, Xiaojie; Schonecker, Stephan; Li, Xiaoqing; Hao, Shengzhi; Zhao, Jijun 收藏 \| 浏览/下载：17/0 \| 提交时间：2019/12/02 Binary alloys Density functional theory Electronic structure Iron alloys Magnetic moments Surface segregation, Body-centered cubic First-principles study Homogeneous concentration Magnetic contribution Segregation energies Surface electronic structures Surface magnetic moments Surface termination, Chromium alloys
	First-Principles Study on electronic structure and optical properties of monolayer MoMS 期刊论文 Solid State Communications, 2019 作者: Xianhong Tang; Tian Chen; Yuehua Dai; Fei Yang; Daoming Ke 收藏 \| 浏览/下载：3/0 \| 提交时间：2019/04/24 ： MoS Isovalent Mixing First-Principles Study
	First-Principles study on electronic structure and optical properties of monolayer MoMS 期刊论文 Solid State Communications, 2019, 卷号: Vol.295, 页码: 22-25 作者: Xianhong Tang; Tian Chen; Yuehua Dai; Fei Yang; Daoming Ke 收藏 \| 浏览/下载：3/0 \| 提交时间：2019/04/24 MoS Isovalent mixing First-Principles study
	Overview of Computational Simulations in Quantum Dots 期刊论文 ISRAEL JOURNAL OF CHEMISTRY, 2019, 卷号: 59, 期号: 8, 页码: 661-672 作者: Hong, Yang; Wu, Yongqiang; Wu, Shuimu; Wang, Xinyu; Zhang, Jingchao 收藏 \| 浏览/下载：8/0 \| 提交时间：2019/12/11 colloidal quantum dots computational study first principles classical molecular dynamics
	Influence of local surrounding on magnetism in Fe-Ni alloy: A first principles study 期刊论文 JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 2019, 卷号: 492 作者: Fu, Chengrui; Zhang, Xingfan; Duan, Yunrui; Dai, Xinyue; Li, Tao 收藏 \| 浏览/下载：9/0 \| 提交时间：2019/12/11 Fe-Ni alloy Magnetism First-principles study Local surroundings Invar effect
	Vacancy effect on the generalized stacking fault energy of alloyed gamma-Ni system: A first-principles study 期刊论文 COMPUTATIONAL MATERIALS SCIENCE, 2019, 卷号: 166, 页码: 187-192 作者: Hu, Peng; Zhao, Wenyue; Sun, Zhimei 收藏 \| 浏览/下载：4/0 \| 提交时间：2019/12/30 Ni-based superalloys Generalized stacking fault energy Vacancy effect Twinning propensity First-principles study
	First-principles study on OH-functionalized 2D electrides: Ca2NOH and Y2C(OH)(2), promising two-dimensional monolayers for metal-ion batteries 期刊论文 Applied Surface Science, 2019, 卷号: 478, 页码: 459-464 作者: D.D.Wang; H.B.Li; L.L.Zhang; Z.H.Sun; D.X.Han 收藏 \| 浏览/下载：1/0 \| 提交时间：2020/08/24 OH-functionalized 2D electrides,Ca2NOH,Y2C(OH)(2),Adsorption and,diffusion of metal atoms,First-principles study,anode materials,na,electrons,surfaces,li,Chemistry,Materials Science,Physics

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