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浏览/检索结果: 共12条，第1-10条 帮助 限定条件 发表日期：2020    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     已选(0)清除 条数/页：5101520253035404550556065707580859095100   排序方式：请选择作者升序作者降序题名升序题名降序发表日期升序发表日期降序提交时间升序提交时间降序 Theoretical study impurities intermediate band material based on Sn heavily doped ZnO by first principles 期刊论文 Superlattices and Microstructures, 2020, 卷号: 145 作者:  Yin, Jianbo;  Lu, Xuefeng 收藏  |  浏览/下载：2/0  |  提交时间：2020/11/14 Band structure  Electronic structure  II-VI semiconductors  Optical properties  Oxide minerals  Tin  Zinc oxide  Electrical conductivity  Electronic structure and optical properties  First principles  Heavily doped  Intermediate band materials  Intermediate bands  Sn doping  Theoretical study   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   Cluster expansion Monte Carlo study of indium-aluminum segregation and homogenization in CuInSe2-CuAlSe2pseudobinary alloys 期刊论文 Physical Chemistry Chemical Physics, 2020, 卷号: 22, 期号: 26, 页码: 14694-14703 作者:  Xue, Hong-Tao;  Yu, Xu-Dong;  Aarons, Jolyon;  Tang, Fu-Ling;  Lu, Xue-Feng 收藏  |  浏览/下载：3/0  |  提交时间：2020/11/14 Atoms  Binary alloys  Calculations  Copper alloys  Indium  Indium alloys  Monte Carlo methods  Solar energy  Boltzmann function  Cluster morphology  First-principles calculation  Formation energies  Homogeneous phase  Phase segregations  Temperature increase  Temperature range   Cluster expansion Monte Carlo study of indium-aluminum segregation and homogenization in CuInSe2-CuAlSe2pseudobinary alloys 期刊论文 Physical Chemistry Chemical Physics, 2020, 卷号: 22, 期号: 26, 页码: 14694-14703 作者:  Xue, Hong-Tao;  Yu, Xu-Dong;  Aarons, Jolyon;  Tang, Fu-Ling;  Lu, Xue-Feng 收藏  |  浏览/下载：17/0  |  提交时间：2022/02/17 Atoms  Binary alloys  Calculations  Copper alloys  Indium  Indium alloys  Monte Carlo methods  Solar energy  Boltzmann function  Cluster morphology  First-principles calculation  Formation energies  Homogeneous phase  Phase segregations  Temperature increase  Temperature range   Optical properties and theoretical study of Mn doped ZnAl2O4 nanoparticles with spinel structure 期刊论文 Journal of Alloys and Compounds, 2020, 卷号: 825 作者:  Huang, Shangpan;  Wei, Zhiqiang;  Wu, Xiaojuan;  Shi, Jiwen 收藏  |  浏览/下载：9/0  |  提交时间：2022/02/17 Aluminum compounds  Aluminum metallography  Binding energy  Calculations  Enamels  Energy dispersive spectroscopy  Energy gap  Field emission microscopes  Fourier transform infrared spectroscopy  High resolution transmission electron microscopy  Ions  Manganese  Morphology  Nanoparticles  Optical emission spectroscopy  Optical properties  Particle size  Photoelectron spectroscopy  Photoluminescence  Red Shift  Scanning electron microscopy  Semiconductor quantum wells  Synthesis (chemical)  X ray photoelectron spectroscopy  Zinc compounds  Zinc metallography  Energy dispersive X ray spectroscopy  Field emission scanning electron microscopy  First principle calculations  First-principles calculation  Fourier transform infra red (FTIR) spectroscopy  Photoluminescence spectrum  X ray photoemission spectroscopy  ZnAl2O4   Optical properties and theoretical study of Mn doped ZnAl2O4 nanoparticles with spinel structure 期刊论文 JOURNAL OF ALLOYS AND COMPOUNDS, 2020, 卷号: 825 作者:  Huang, Shangpan;  Wei, Zhiqiang;  Wu, Xiaojuan;  Shi, Jiwen 收藏  |  浏览/下载：6/0  |  提交时间：2020/06/02 ZnAl2O4  Manganese doped  Optical properties  First-principles calculations   A first-principles study of gas molecule adsorption on hydrogen-substituted graphdiyne 期刊论文 PHYSICS LETTERS A, 2020, 卷号: 384, 期号: 16 作者:  Song, Mingxia;  Chen, Yuhong;  Liu, Xiaocong;  Xu, Wenhui;  Zhao, Yingjie 收藏  |  浏览/下载：6/0  |  提交时间：2020/06/02 Hydrogen-substituted graphdiyne  B atom  First principles  Gas molecule  Adsorption   Methane Adsorption Properties of Mn-Modified Graphene: A First-Principles Study 期刊论文 ADVANCED THEORY AND SIMULATIONS, 2020, 卷号: 3, 期号: 6, 页码: 2000035 作者:  Zhao, Yingjie;  Chen, Yuhong;  Song, Mingxia;  Liu, Xiaocong;  Xu, Wenhui 收藏  |  浏览/下载：8/0  |  提交时间：2020/06/02 adsorption  CH4  graphenes  Mn-modified materials   First-Principles Study on Methane (CH4) Storage Properties of Graphdiyne 期刊论文 JOURNAL OF PHYSICAL CHEMISTRY C, 2020, 卷号: 124, 期号: 15, 页码: 8110-8118 作者:  Xu, Wenhui;  Chen, Yuhong;  Song, Mingxia;  Liu, Xiaocong;  Zhao, Yingjie 收藏  |  浏览/下载：8/0  |  提交时间：2020/06/02 Adsorption  Atoms  Carbon  Electrostatics  Hydrocarbons  Methane  Molecules  Pore structure  Adsorption energies  Adsorption properties  Carbon allotropes  Electroconductivity  First-principles study  Negatively charged  Stable adsorption  Storage properties