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兰州理工大学 [18]

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期刊论文 [18]

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限定条件	专题：兰州理工大学第一署名单位第一作者单位通讯作者单位

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	Density functional theory research on the adsorption properties of Ti-doped graphene for acetone and other gases 期刊论文 Materials Science in Semiconductor Processing, 2022, 卷号: 138 作者: Jiang, Lili; Chen, Zhaoyu; Cui, Qi; Xu, Su; Hou, Xingang 收藏 \| 浏览/下载：23/0 \| 提交时间：2022/02/17 Carbon dioxide Charge transfer Density functional theory Density of gases Gas adsorption Gases Graphene Adsorbing materials Adsorption energies Adsorption properties Charge-density analysis Density-functional-theory First principle calculations Industrial production Partial density of state Ti doped Ti-doped graphene
	Structure stability, electronic property and voltage profile of LiFe1−nNnP1−mM mO4 olivine cathode material 期刊论文 Rare Metals, 2021, 卷号: 40, 期号: 12, 页码: 3512-3519 作者: Cui, Zhi-Hong; Lu, Xue-Feng; Luo, Jian-Hua; Guo, Xin; Xue, Hong-Tao 收藏 \| 浏览/下载：20/0 \| 提交时间：2022/02/17 Cathodes Computation theory Density functional theory Electronic properties Energy gap Silicate minerals Silicon Stability Charge density difference Computational studies Electrode material Lithium Intercalation N-type semiconductors P type semiconductor Structural stabilities Structure stability
	Design of Co Nanoparticles-Encapsulated by Boron and Nitrogen Co-Doped Carbon Nanosheets as Highly Efficient Electrocatalyst for Oxygen Reduction Reaction 期刊论文 ADVANCED MATERIALS INTERFACES, 2021, 卷号: 8, 期号: 24 作者: Niu, Wen-Jun; Sun, Qiao-Qiao; Wang, Ya-Ping; Gu, Bing-Ni; Liu, Ming-Jin 收藏 \| 浏览/下载：15/0 \| 提交时间：2021/12/17 carbon nanosheets disposable Zn-air battery heteroatom doping M-N C oxygen reduction reaction
	Effect of transition metals doping on electronic structure and optical properties of beta-Ga2O3 期刊论文 MATERIALS RESEARCH EXPRESS, 2021, 卷号: 8, 期号: 2, 页码: - 作者: Gao, Shanshan; Li, Weixue; Dai, Jianfeng; Wang, Qing; Suo, Zhongqiang 收藏 \| 浏览/下载：12/0 \| 提交时间：2021/03/12 first-principles calculation electronic structure optical properties Ga2O3 effective mass
	Effect of transition metals doping on electronic structure and optical properties of β-Ga2O3 期刊论文 Materials Research Express, 2021, 卷号: 8, 期号: 2 作者: Gao, Shanshan; Li, Weixue; Dai, Jianfeng; Wang, Qing; Suo, Zhongqiang 收藏 \| 浏览/下载：23/0 \| 提交时间：2021/04/12 Atoms D region Electronic structure Gallium compounds Red Shift Transition metals Absorption intensity Atomic numbers Cu-doping Electronic structure and optical properties Orbital hybridization Strong interaction Visible light Zn doping
	Structure stability, electronic property and voltage profile of LiFe(1-n)NnP(1-m)M(m)O(4) olivine cathode material 期刊论文 RARE METALS, 2021, 卷号: 40, 期号: 12, 页码: 3512-3519 作者: Cui, Zhi-Hong; Lu, Xue-Feng; Luo, Jian-Hua; Guo, Xin; Xue, Hong-Tao 收藏 \| 浏览/下载：2/0 \| 提交时间：2021/06/03 Energy storage materials First principles Battery cathode LiFePO4 Doping Electronic properties
	Effect of Co-Doping on the Stability of γ'-Ni3Al: A First-Principles Study 期刊论文 Xiyou Jinshu Cailiao Yu Gongcheng/Rare Metal Materials and Engineering, 2020, 卷号: 49, 期号: 8, 页码: 2746-2753 作者: Li, Yamin; Chen, Yinping; Liu, Hongjun 收藏 \| 浏览/下载：17/0 \| 提交时间：2020/12/18 Atoms Charge transfer Chemical bonds Density functional theory Electronic density of states Electrons Fermi level Heat treatment Nickel compounds Stability Bonding characteristics Bonding electrons Density difference First-principles density functional theory First-principles study Formation enthalpy Orbital hybridization Plane-wave pseudopotential method
	Effect of Co-Doping on the Stability of gamma '-Ni3Al: A First-Principles Study 期刊论文 RARE METAL MATERIALS AND ENGINEERING, 2020, 卷号: 49, 期号: 8, 页码: 2746-2753 作者: Li Yamin; Chen Yinping; Liu Hongjun 收藏 \| 浏览/下载：12/0 \| 提交时间：2022/03/01 first-principles gamma ' phase electronic structure stability
	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：8/0 \| 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

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