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兰州理工大学 [45]

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	Effect of alloying elements on the interface of fcc-Fe/Ni3Al by first principle calculations 期刊论文 Computational Materials Science, 2022, 卷号: 214 作者: Guo, Xin; Zhou, Jitian; Zhang, Xingxing; Yang, Ping; Ren, Junqiang 收藏 \| 浏览/下载：29/0 \| 提交时间：2022/09/22 Alloying Atoms Austenite Calculations Chemical bonds Density functional theory Electrons Density diagram Differential charge First principle calculations First principles Heat-resistant steel Interface energy Interface property Orbital electrons Orbitals Segregation
	Dual-doping in the bulk and the surface to ameliorate the hematite anode for photoelectrochemical water oxidation 期刊论文 Journal of Colloid and Interface Science, 2022, 卷号: 624, 页码: 60-69 作者: Wang, Tong; Gao, Lili; Wang, Peng; Long, Xuefeng; Chai, Huan 收藏 \| 浏览/下载：21/0 \| 提交时间：2022/06/20 Electrochemistry Heterojunctions Oxidation Semiconductor doping Charge carrier density Co catalysts Dual doping Haematite High charges Oxidation kinetics P-n heterojunctions Photoelectrochemical water oxidation Photoelectrochemical water splitting Potential barriers
	Origin and strain tuning of charge density wave in LaTe3 期刊论文 PHYSICA B-CONDENSED MATTER, 2022, 卷号: 639 作者: Hong, Yuanting; Wei, Qin; Liang, Xin; Lu, Wenjian 收藏 \| 浏览/下载：13/0 \| 提交时间：2022/12/23 Rare-earth tritelluride Charge density wave Electron-phonon coupling
	The initial radius of lightning return stroke channel and its relation with discharge intensity 期刊论文 Atmospheric Research, 2022, 卷号: 273 作者: Wang, Wangsheng; Yuan, Ping; Huang, Xin; Wan, Ruibin; Qin, Yuanshuai 收藏 \| 浏览/下载：31/0 \| 提交时间：2022/04/21 Lightning Optical correlation Electrostatic energies Initial radius Internal energies Lightning discharge Lightning return stroke Lightning spectrum Line charge density Line charges Stroke channel
	Charge fluctuation of simple substances in 3-dimensional lattices 期刊论文 COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2022, 卷号: 1212 作者: Yang, Yu-Tong; Xue, Hong-Tao; Tang, Fu-Ling; Yao, Xiao-Jun 收藏 \| 浏览/下载：14/0 \| 提交时间：2022/06/21 Simple substances Allotrope Charge distribution Oxidation number Density function theory
	Observation and Manipulation of a Phase Separated State in a Charge Density Wave Material 期刊论文 NANO LETTERS, 2022, 卷号: 22 作者: Walker, Sean M.; Patel, Tarun; Okamoto, Junichi; Langenberg, Deler; Bergeron, E. Annelise 收藏 \| 浏览/下载：11/0 \| 提交时间：2022/12/23 two-dimensional materials charge density wave phase separation scanning tunneling microscopy
	First-principles study of the impact of hydrogen on the adsorption properties of Ti-decorated graphdiyne storage methane 期刊论文 Chemical Physics Letters, 2022, 卷号: 790 作者: Zhao, Qiuyu; Chen, Yuhong; Xu, Wenhui; Ju, Jiaming; Zhao, Yingjie 收藏 \| 浏览/下载：17/0 \| 提交时间：2022/04/21 Adsorption Density functional theory Hydrogen storage Titanium compounds Adsorption capacities Adsorption properties CH 4 Density-functional-theory First principles First-principle study Graphdiyne Methane and hydrogen mixed storage Negative charge Ti-decorated
	Experimental and DFT-D3 study of sensitivity and sensing mechanism of ZnSnO3 nanosheets to C3H6O gas 期刊论文 JOURNAL OF MATERIALS SCIENCE, 2022, 卷号: 57, 期号: 5, 页码: 3231-3251 作者: Jiang, Lili; Chen, Zhaoyu; Cui, Qi; Xu, Su; Tang, Fuling 收藏 \| 浏览/下载：23/0 \| 提交时间：2022/03/01 Acetone Charge transfer Chemical detection Chemical sensors Density functional theory Design for testability Gas detectors Gases Nanosheets Perovskite Tin compounds Acetone gas Density-functional-theory First principle method Gas sensitivity High sensitivity Perovskite type Sensing material Sensing mechanism Sensitivity mechanisms Sensitivity tests
	Density functional theory research on the adsorption properties of Ti-doped graphene for acetone and other gases 期刊论文 Materials Science in Semiconductor Processing, 2022, 卷号: 138 作者: Jiang, Lili; Chen, Zhaoyu; Cui, Qi; Xu, Su; Hou, Xingang 收藏 \| 浏览/下载：23/0 \| 提交时间：2022/02/17 Carbon dioxide Charge transfer Density functional theory Density of gases Gas adsorption Gases Graphene Adsorbing materials Adsorption energies Adsorption properties Charge-density analysis Density-functional-theory First principle calculations Industrial production Partial density of state Ti doped Ti-doped graphene
	Network-Initialized Monte Carlo Based on Generative Neural Networks 期刊论文 CHINESE PHYSICS LETTERS, 2022, 卷号: 39, 期号: 5, 页码: 50701 作者: Lu, Hongyu; Li, Chuhao; Chen, Bin-Bin; Li, Wei; Qi, Yang 收藏 \| 浏览/下载：4/0 \| 提交时间：2023/01/16 CHARGE-DENSITY-WAVE HUBBARD-MODEL QUANTUM PHASES

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