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兰州理工大学 [14]

山东大学 [7]

西安交通大学 [5]

上海大学 [5]

北京航空航天大学 [4]

上海应用物理研究所 [4]

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期刊论文 [79]

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2017 [79]

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	Phase-field modeling and electronic structural analysis of flexoelectric effect at 180° domain walls in ferroelectric PbTiO3 期刊论文 Journal of Applied Physics, 2017, 卷号: 122, 期号: 22 作者: Wang, Yu-Jia; Li, Jiangyu; Zhu, Yin-Lian; Ma, Xiu-Liang 收藏 \| 浏览/下载：14/0 \| 提交时间：2020/11/14 Calculations Electric fields Ferroelectric materials Ferroelectricity Lead titanate Polarization Structural analysis Titanium compounds Electronic charge density Electronic mechanisms First-principles calculation Flexoelectric effects Nano scale Phase field models Phase-field simulation Spontaneous polarizations
	Li-decorated β12-borophene as potential candidates for hydrogen storage: A first-principle study 期刊论文 Materials, 2017, 卷号: 10, 期号: 12 作者: Liu, Tingting; Chen, Yuhong; Wang, Haifeng; Zhang, Meiling; Yuan, Lihua 收藏 \| 浏览/下载：3/0 \| 提交时间：2020/11/14 Calculations Density functional theory Electronic structure Molecules Adsorption energies Adsorption site First-principle study First-principles calculation Hydrogen storage capacities Hydrogen storage properties Numerical calculation Storage performance
	A first-principles study of gas molecule adsorption on borophene 期刊论文 AIP ADVANCES, 2017, 卷号: 7, 期号: 12 作者: Liu, Tingting; Chen, Yuhong; Zhang, Meiling; Yuan, Lihua; Zhang, Cairong 收藏 \| 浏览/下载：7/0 \| 提交时间：2019/11/15 Adsorption Ammonia Calculations Chemisorption Electronic properties Gases Molecules Nitrogen oxides Adsorption energies Anisotropic structure Electrical conductivity Electron acceptor First-principles study Gas molecule adsorption Research interests Two-dimensional materials
	Li-Decorated (12)-Borophene as Potential Candidates for Hydrogen Storage: A First-Principle Study 期刊论文 MATERIALS, 2017, 卷号: 10, 期号: 12 作者: Liu, Tingting; Chen, Yuhong; Wang, Haifeng; Zhang, Meiling; Yuan, Lihua 收藏 \| 浏览/下载：10/0 \| 提交时间：2019/11/15 (12)-borophene Li-decorated hydrogen storage first-principles calculations
	Electronic and optical properties of the wurtzite-ZnO/CH3NH3PbI3 interface: first-principles calculations 期刊论文 Journal of Materials Science, 2017, 卷号: 52, 期号: 24, 页码: 13841-13851 作者: Si, Fengjuan; Hu, Wei; Tang, Fuling; Cheng, Yuwen; Xue, Hongtao 收藏 \| 浏览/下载：31/0 \| 提交时间：2022/02/17 Binding energy Calculations Charge transfer Electronic properties II-VI semiconductors Lattice mismatch Optical properties Oxide minerals Semiconductor quantum wells Zinc oxide Zinc sulfide Atomic charge Charge density difference Electronic and optical properties First-principles calculation Optical and electronic properties Orbitals Wurtzite zno
	Effect of structural phase transformations under pressure on electronic and optical properties of CuInS2 期刊论文 Current Applied Physics, 2017, 卷号: 17, 期号: 11, 页码: 1564-1569 作者: Gao, Bo; Xue, Hong-Tao; Tang, Fu-Ling; Cheng, Yu-Wen 收藏 \| 浏览/下载：15/0 \| 提交时间：2022/02/17 Calculations Copper compounds Electronic properties Energy gap Free energy Gibbs free energy Growth rate High pressure engineering Indium compounds Light absorption Optical materials Phase transitions Structural properties CuInS2 Electronic and optical properties Experimental values First-principles calculation Plane wave calculations Semiconductor compounds Structural phase transformations Structural phase transition
	Effect of structural phase transformations under pressure on electronic and optical properties of CuInS2 期刊论文 CURRENT APPLIED PHYSICS, 2017, 卷号: 17, 期号: 11, 页码: 1564-1569 作者: Gao, Bo; Xue, Hong-Tao; Tang, Fu-Ling; Cheng, Yu-Wen 收藏 \| 浏览/下载：0/0 \| 提交时间：2019/11/15 CuInS2 First-principles calculation Pressure-induced structural phase transition Electronic properties Optical absorption spectra
	Chiral phase transition at 180° domain walls in ferroelectric PbTiO3 driven by epitaxial compressive strains 期刊论文 Journal of Applied Physics, 2017, 卷号: 122, 期号: 13 作者: Wang, Yu-Jia; Zhu, Yin-Lian; Ma, Xiu-Liang 收藏 \| 浏览/下载：11/0 \| 提交时间：2020/11/14 Calculations Chirality Ferroelectric materials Ferroelectricity Lead titanate Strain Titanium compounds Chiral phase transitions Compressive strain Domain wall energy Electronic memory Ferroelectric domains First-principles calculation Polarization and strains Stress gradient
	Charge-transfer mobility and electrical conductivity of PANI as conjugated organic semiconductors 期刊论文 JOURNAL OF CHEMICAL PHYSICS, 2017, 卷号: 147, 期号: 11 作者: Zhang, Mingxing; Zhang, Yahong; Duan, Yuping; Song, Lulu; Zheng, Daoyuan 收藏 \| 浏览/下载：20/0 \| 提交时间：2017/12/20
	Charge-transfer mobility and electrical conductivity of PANI as conjugated organic semiconductors 期刊论文 JOURNAL OF CHEMICAL PHYSICS, 2017, 卷号: 147, 期号: 11 作者: Zhang, Yahong; Duan, Yuping; Song, Lulu; Zheng, Daoyuan; Zhang, Mingxing 收藏 \| 浏览/下载：21/0 \| 提交时间：2017/12/20

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