中国科学院机构知识库网格系统: 检索

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	Structural Engineering of FDT toward Promising Spiro-Typed Hole-Transporting Materials: Promoting the Hole Transport and Stabilizing the HOMO Levels 期刊论文 OAI收割 Journal of Physical Chemistry C, 2022, 卷号: 126, 期号: 28, 页码: 11529-11536 作者: Sun, Zhu-Zhu; Yang, Jie; Ding, Wei-Lu; Liu, Jing-Lun; Xu, Xing-Lei \| 收藏 \| 浏览/下载：0/0 \| 提交时间：2023/06/26 Band structure - Energy policy - Hole mobility - Molecular orbitals - Perovskite - Red Shift
	Improved Figure of Merit of Cu2SnSe3 via Band Structure Modification and Energy-Dependent Carrier Scattering 期刊论文 OAI收割 ACS APPLIED MATERIALS & INTERFACES, 2020, 卷号: 12 作者: Ming, Hongwei; Zhu, Chen; Qin, Xiaoying; Zhang, Jian; Li, Di \| 收藏 \| 浏览/下载：21/0 \| 提交时间：2020/11/26 thermoelectric properties Cu2SnSe3 thermal conductivity band structure modification energy dependent carrier scattering
	Significantly improved thermal stability and thermoelectric performance of Cu-deficient Cu4-d Ga4Te8 (delta=1.12) chalcogenides through addition of Sb 期刊论文 OAI收割 JOURNAL OF MATERIALS CHEMISTRY A, 2018, 卷号: 6, 期号: 26, 页码: 12672-12681 作者: Cui, JL; Zhu, JH; Han, ZK; Luo, Y \| 收藏 \| 浏览/下载：82/0 \| 提交时间：2019/12/17 TOTAL-ENERGY CALCULATIONS WAVE BASIS-SET CHALCOPYRITE CUGATE2 BULK THERMOELECTRICS CRYSTAL-STRUCTURE SOLID-SOLUTIONS PHASE-DIAGRAM THIN-FILMS CONDUCTIVITY BAND
	Structural and Electronic Properties of Inorganic Mixed Halide Perovskites 期刊论文 OAI收割 Physica Status Solidi-Rapid Research Letters, 2018, 卷号: 12, 期号: 8, 页码: 6 作者: Chen, X. J.; Han, D.; Su, Y.; Zeng, Q. H.; Liu, L. \| 收藏 \| 浏览/下载：68/0 \| 提交时间：2019/09/17 band structure density functional theory inorganic mixed halide perovskites optical bowing parameter cesium lead halide light-emitting-diodes total-energy calculations effective masses anion-exchange nanocrystals efficiency cspbx3 photoluminescence semiconductor Materials Science Physics
	The group VA element non-compensated n-p codoping in CuGaS2 for intermediate band materials 期刊论文 OAI收割 SOLAR ENERGY MATERIALS AND SOLAR CELLS, 2016, 卷号: 144, 期号: 无, 页码: 664-670 作者: Han, Miaomiao; Zhang, Xiaoli; Zhang, Yongsheng; Zeng, Z. 收藏 \| 浏览/下载：16/0 \| 提交时间：2017/11/23 Solar Energy Intermediate Band Band Structure Density Of States Optical Absorption Phase Stability Formation Energy
	First-principles determination of the absolute band-edge positions of BiOX (X = F, Cl, Br, I) 期刊论文 OAI收割 COMPUTATIONAL MATERIALS SCIENCE, 2012, 卷号: 55, 期号: 0, 页码: 166-170 作者: Huang, Wen Lai 收藏 \| 浏览/下载：17/0 \| 提交时间：2013/10/26 Density functional theory Bismuth oxyhalide Photocatalyst Electronic structure Band-edge energy
	The properties of bio-energy transport and influence of structure nonuniformity and temperature of systems on energy transport along polypeptide chains 期刊论文 OAI收割 Progress in Biophysics & Molecular Biology, 2012, 卷号: 108, 期号: 1-2, 页码: 1-46 X. F. Pang 收藏 \| 浏览/下载：39/0 \| 提交时间：2013/02/05 Polypeptide chain Biological energy Soliton transport Thermal stability Lifetime Quasi-coherent state Amino acid Structure nonuniformity Temperature Runge-Kutta way Numerical simulation Experimental evidence davydov soliton dynamics amide-i band protein molecules crystalline acetanilide finite-temperature living systems infrared-absorption helical proteins vibron solitons improved model
	Spinel oxides: Delta(1) spin-filter barrier for a class of magnetic tunnel junctions 期刊论文 OAI收割 APPLIED PHYSICS LETTERS, 2012, 卷号: 100, 期号: 22 Zhang, J; Zhang, XG; Han, XF 收藏 \| 浏览/下载：41/0 \| 提交时间：2013/09/24 ELECTRONIC-STRUCTURE ROOM-TEMPERATURE LARGE MAGNETORESISTANCE BAND-STRUCTURE VALENCE BANDS ENERGY-BANDS
	An Orthorhombic Polymorph of Lanthanum Ultraphosphate LaP(5)O(14): Synthesis, Structure and Density Functional Study 期刊论文 OAI收割 Chinese Journal of Structural Chemistry, 2011, 卷号: 30, 期号: 5, 页码: 648-653 J. Zhu; H. Chen; Y. D. Wang; S. O. Zhang; W. D. Cheng; H. T. Guan 收藏 \| 浏览/下载：35/0 \| 提交时间：2012/06/06 ultraphosphate structure energy band la