【11164014】CuInSe2薄膜太阳能电池材料元素取代理论研究国家自然基金项目

CuInSe2薄膜太阳能电池材料元素取代理论研究

项目批准号： 11164014

批准年份： 2011

学科分类： A2002.凝聚态物质力热光电性质

项目负责人：汤富领

资助类别：地区科学基金项目

负责人职称：教授

依托单位：兰州理工大学

资助金额： 36万元

关键词： CuInSe2;太阳能薄膜电池;原子模拟;第一性原理计算

起止时间： 2012-01-01到2015-12-31

中英文摘要
结题摘要
结题报告
项目成果
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序号	标题	类型	作者
1	Lattice structures and electronic properties of MO/MoSe2 interface from first-principles calculations	期刊论文	H T Xue\|W J Lu\|J F Liu\|M Huang\|
2	Generalized stacking fault energies, cleavage energies, ionicity and brittleness of Cu(Al/Ga/In)Se2 and CuGa(S/Se/Te)2	期刊论文	H T Xue\|F L Tang\|T Gruhn\|W J Lu\|
3	Phase diagram of the CuInSe2-CuGaSe2 pseudobinary system studied by combined ab initio density functional theory and thermodynamic calculation	期刊论文	H. T. Xue, W. J. Lu, F. L. Tang*,\|
4	Spin/orbital coupling and charge ordering in LaMnO3/SrMnO3 superlattice	期刊论文	F L Tang\|Y X Hu\|W J Lu\|
5	Structural and electronic properties of a single C chain doped zigzag BN nanoribbons	期刊论文	Q W Wang\|G Y Cao\|F L Tang\|M Huang\|
6	Lattice structures and electronic properties of WZ-CuInS2/MoS2 interface from first-principles calculations	期刊论文	F L Tang\|H T Xue\|Y Zhang\|Y D Feng\|
7	First-principles study of small palladium clusters on NiAl(110) alloy surface	期刊论文	P Wu\|G Y Cao\|F L Tang\|M Huang\|
8	高介电Hf1-xSixO2的热学性能	期刊论文	F J Si\|W J Lu\|F L Tang\|
9	Molecular dynamics simulations of void shrinkage in gamma-TiAl single crystal	期刊论文	H T Xue\|W Y Yu\|L Zhu\|Z Y Rui\|
10	Temperature effects on distribution and inhomogeneous degree of In–Ga atoms in CuIn1？xGaxSe2 alloys	期刊论文	F L Tang\|F Z Zhang\|W J Lu\|Y D Feng\|
11	Pt (111)表面由C60吸附带来的表面重构：第一性原理计算	期刊论文	Huang Min\|
12	Effect of the NO3-/CH3COO- ratio on structure and performance of ultrafine LiMn2O4 by solution combustion synthesis	期刊论文	W F Fan\|F C Wang\|W J Lu\|F L Tang\|
13	Optical properties of Al-doped CuInSe2 from the first principle calculation	期刊论文	F L Tang\|Z X Zhu\|W J Lu\|
14	First-principles investigation of structural phase transitions and electronic properties of CuGaSe2 up to 100 GPa	期刊论文	H T Xue\|F L Tang\|W J Lu\|
15	First-principles calculation of sulfur-selenium segregation in ZnSe1-xSx: The role of lattice vibration	期刊论文	X K Li\|H T Xue\|F L Tang\|W J Lu\|
16	Al-doped CuInSe2: An ab initio study of structural and electronic properties of a photovoltaic material	期刊论文	汤富领\|
17	Structural and magnetic effects on thermal emittance of La1-xSrxMnO3 from the first principles calculation	期刊论文	F L Tang\|H T Xue\|W J Lu\|Y D Feng\|
18	Lattice structures and electronic properties of CIGS/CdS interface:	期刊论文	Tang Fu-Ling(汤富领)*, Liu Ran(刘冉),Xue Hong-Tao(薛红涛)\|
19	Cd1-xZnxS热学性质的理论研究与设计	期刊论文	万福成\|汤富领等\|
20	Phase equilibrium of a CuInSe2-CuInS2 pseudobinary system studied by combined first-principles calculations and cluster expansion Monte Carlo simulations	期刊论文	F L Tang\|X K Li\|F C Wan\|W J Lu\|
21	First principles investigation of optical properties of CuIn(SxSe1-x)2	期刊论文	F C Wan\|F L Tang\|Z X Zhu\|H T Xue\|
22	Lattice structures and electronic properties of MO/MoSe2 interface	期刊论文	Y Zhang\|F L ang\|H T Xue\|W J Lu\|
23	Molecular dynamics simulations of void growth in gamma-TiAl single crystal	期刊论文	H T Xue\|W J Lu\|L Zhu\|Z Y Rui\|
24	Facile approach to preparation of nitrogen-doped graphene and its supercapacitive performance	期刊论文	F L Tang\|J W Lang\|W W Liu\|X B Yan\|
25	Phase diagram of the CulnSe(2)-CuGaSe2 pseudobinary system studied by combined ab initio density functional theory and thermodynamic calculation	期刊论文	F L Tang\|X K Li\|Y Zhang\|Y D Feng\|
26	Crystal structure and photoelectric property of thin-film solar cell materials Cd1-xZnxS	期刊论文	汤富领\|
27	Thermal properties of high-k Hf1-xSixO2	期刊论文	汤富领\|
28	Lattice structures and electronic properties of CIGS/CdS interface: First-principles calculations	期刊论文	W J Lu\|Y D Feng\|Z Y Rui\|M Huang\|
29	Molecular dynamics simulations of void growth in γ-TiAl single crystal	期刊论文	Fu-Ling Tang\|Hou-Min Cai et al\|

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