中国科学院机构知识库网格系统: 检索

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	Stable zigzag edges of transition-metal dichalcogenides with high catalytic activity for oxygen reduction 期刊论文 OAI收割 ELECTROCHIMICA ACTA, 2020, 卷号: 338 作者: Hao, Yu; Xu, Li-Chun; Pu, Jibin; Wang, Liping; Huang, Liang-Feng \| 收藏 \| 浏览/下载：37/0 \| 提交时间：2020/12/16 GENERALIZED GRADIENT APPROXIMATION PLANE-WAVE AB-INITIO HYDROGEN-EVOLUTION MOS2 PERFORMANCE DENSITY CARBON SITES ELECTROCHEMISTRY
	Generalized plane wave discontinuous Galerkin methods for nonhomogeneous Helmholtz equations with variable wave numbers 期刊论文 OAI收割 INTERNATIONAL JOURNAL OF COMPUTER MATHEMATICS, 2019, 页码: 22 作者: Yuan, Long; Hu, Qiya \| 收藏 \| 浏览/下载：29/0 \| 提交时间：2020/01/10 Helmholtz equation nonhomogeneous variable wave numbers generalized plane wave local spectral elements error estimates
	Acetone adsorption on ice investigated by X-ray spectroscopy and density functional theory 期刊论文 OAI收割 PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2011, 卷号: 13, 期号: 44, 页码: 19988 Starr, DE; Pan, D; Newberg, JT; Ammann, M; Wang, EG; Michaelides, A; Bluhm, H 收藏 \| 浏览/下载：23/0 \| 提交时间：2013/09/17 INITIO MOLECULAR-DYNAMICS GENERALIZED GRADIENT APPROXIMATION SURFACE CHEMICAL-PROPERTIES PLANE-WAVE METHOD WALL FLOW-TUBE PHOTOELECTRON-SPECTROSCOPY AB-INITIO ATMOSPHERIC CHEMISTRY POLYATOMIC-MOLECULES ABSORPTION SPECTRA
	Adsorption of hydrogen on boron-doped graphene: A first-principles prediction 期刊论文 OAI收割 Journal of Applied Physics, 2009, 卷号: 105, 期号: 1 Y. G. Zhou; X. T. Zu; F. Gao; J. L. Nie; H. Y. Xiao 收藏 \| 浏览/下载：26/0 \| 提交时间：2012/04/13 walled carbon nanotubes generalized gradient approximation total-energy calculations wave basis-set substitution-reaction graphite exchange plane surfaces
	Magnetism and phase transitions of iron under pressure 期刊论文 OAI收割 Journal of Physics-Condensed Matter, 2008, 卷号: 20, 期号: 42 Z. Y. Zeng; C. E. Hu; X. R. Chen; L. C. Cai; F. Q. Jing 收藏 \| 浏览/下载：21/0 \| 提交时间：2012/04/13 generalized-gradient approximation ab-initio pseudopotential calculations electronic-structure static compression spin transition surface alloys lower mantle earths core plane-wave
	Structural and thermodynamic properties of wurtzite-type aluminium nitride from first-principles calculations 期刊论文 OAI收割 Chinese Physics, 2007, 卷号: 16, 期号: 12, 页码: 3783-3789 Y. L. Wang; Q. Ai; X. R. Chen; L. C. Cai 收藏 \| 浏览/下载：20/0 \| 提交时间：2012/04/13 thermodynamic property generalized gradient approximation (GGA) w-AIN electronic-structure elastic-constants plane-wave phase gan pressure aln semiconductors transition stability
	Transition phase and thermodynamic properties of GaN via first-principles calculations 期刊论文 OAI收割 Solid State Communications, 2005, 卷号: 136, 期号: 3, 页码: 152-156 L. Y. Lu; X. R. Chen; Y. Cheng; J. Z. Zhao 收藏 \| 浏览/下载：28/0 \| 提交时间：2012/05/17 GaN thermodynamic properties transition phase generalized gradient approximation molecular-beam epitaxy iii-v nitrides gallium nitride high-pressure plane-wave stability wurtzite growth pseudopotentials
	Transition phase and thermodynamic properties of GaN via first-principles calculations 期刊论文 OAI收割 Solid State Communications, 2005, 卷号: 136, 期号: 3, 页码: 152-156 L. Y. Lu; X. R. Chen; Y. Cheng; J. Z. Zhao 收藏 \| 浏览/下载：18/0 \| 提交时间：2012/04/14 GaN thermodynamic properties transition phase generalized gradient approximation molecular-beam epitaxy iii-v nitrides gallium nitride high-pressure plane-wave stability wurtzite growth pseudopotentials
	Ab initio calculations of the electronic structure of the silver palladium oxide Ag2PdO2 期刊论文 OAI收割 Physica B-Condensed Matter, 2003, 卷号: 337, 期号: 1-4, 页码: 102-110 L. H. Yu; K. L. Yao; Z. L. Liu 收藏 \| 浏览/下载：20/0 \| 提交时间：2012/04/14 silver palladium oxide ab initio calculation mixed LAPW/APW plus lo method band structure band gap generalized gradient approximation plane-wave method crystal-structure band-structure phase-diagram system copper energy solids