中国科学院机构知识库网格系统: 检索

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	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：65/0 \| 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
	First principles study on the electronic structures and optical properties of Na2Ge2Se5 期刊论文 OAI收割 ACTA PHYSICA SINICA, 2014, 卷号: 63 作者: Cheng XD(程旭东); Wu HX(吴海信); Tang XL(唐小路); Wang ZY(王振友); Xiao RC(肖瑞春) \| 收藏 \| 浏览/下载：21/0 \| 提交时间：2020/11/23 1ST-PRINCIPLES CALCULATIONS THERMODYNAMIC PROPERTIES BAND-GAPS SEMICONDUCTORS CHALCOGENIDES INSULATORS Na2Ge2Se5 electronic structure optical properties first-principles
	Structural, thermodynamic, electronic, and optical properties of NaH from first-principles calculations 期刊论文 OAI收割 Materials Chemistry and Physics, 2012, 卷号: 133, 期号: 1, 页码: 346-355 X. W. Sun; L. C. Cai; Q. F. Chen; X. R. Chen; F. Q. Jing 收藏 \| 浏览/下载：28/0 \| 提交时间：2013/02/05 Ab initio calculations Thermodynamic properties Band structure Optical properties alkali-metal hydrides inelastic neutron-scattering hydrogen storage materials high-pressure aluminum hydrides phase-transitions quasi-particle solids model approximation
	Synthesis, Crystal and Band Structures, and Optical Properties of Mercury Pnictide Halide Hg(19)As(10)Br(18) 期刊论文 OAI收割 Chinese Journal of Structural Chemistry, 2011, 卷号: 30, 期号: 12, 页码: 1827-1832 J. P. Zou; L. Z. Zhang; G. S. Zeng; X. B. Luo; Q. Peng 收藏 \| 浏览/下载：614/0 \| 提交时间：2012/06/06 band structure density functional calculations pnictide halides semiconductor solid-state reaction metal pnictidehalide
	Elastic and thermodynamic properties of the zinc-blende structure LiZnN under pressure 期刊论文 OAI收割 Physica B-Condensed Matter, 2010, 卷号: 405, 期号: 2, 页码: 529-533 J. Chang; X. R. Chen; Y. Cheng; J. Zhu 收藏 \| 浏览/下载：25/0 \| 提交时间：2012/04/13 ab initio calculations Elastic properties Thermodynamic properties Alloy optical band-gap tetrahedral semiconductor liznn electronic-structure ab-initio limgx x constants crystals growth solids mgo
	First-principles investigation of organic semiconductors for thermoelectric applications 期刊论文 OAI收割 JOURNAL OF CHEMICAL PHYSICS, 2009, 卷号: 131, 期号: 22 作者: Wang, Dong; Tang, Ling; Long, Mengqiu; Shuai, Zhigang \| 收藏 \| 浏览/下载：52/0 \| 提交时间：2019/04/09 Ab Initio Calculations Band Structure Carrier Density Organic Semiconductors Seebeck Effect
	Influence of the electronic states anisotropy on the band gap pressure coefficient of InxGa1-xN alloys 期刊论文 OAI收割 Journal of Applied Physics, 2009, 卷号: 106, 期号: 11 作者: Yang H (杨辉); Xu K (徐科); Shi L (石林) 收藏 \| 浏览/下载：205/61 \| 提交时间：2011/03/14 ab initio calculations crystal structure energy gap gallium compounds high-pressure effects III-V semiconductors indium compounds valence bands wide band gap semiconductors
	Revised ab initio natural band offsets of all group iv, ii-vi, and iii-v semiconductors 期刊论文 iSwitch采集 Applied physics letters, 2009, 卷号: 94, 期号: 21, 页码: 3 作者: Li, Yong-Hua; Walsh, Aron; Chen, Shiyou; Yin, Wan-Jian; Yang, Ji-Hui 收藏 \| 浏览/下载：35/0 \| 提交时间：2019/05/12 Ab initio calculations Band structure Cadmium compounds Iii-v semiconductors Ii-vi semiconductors Iv-vi semiconductors Zinc compounds