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中国科学院高能物理研究所机构知识库
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多学科研究中心 [5]
院士 [1]
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石伟群 [5]
柴之芳 [2]
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Adsorption of CH3I on Ag(111) and Ag2O(111) surface: A density functional theory study
期刊论文
CHEMICAL PHYSICS, 2018, 卷号: 513, 页码: 35-40
Authors:
Yang, L
;
Zhao, YL
;
Li, K
;
Chen, ZC
;
Zhang, P
;
Shi, WQ
;
Shi WQ(石伟群)
Adobe PDF(1351Kb)
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View/Download:1/0
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Submit date:2019/09/24
CH3I molecule
Ag(111)
Ag2O(111)
Surface adsorption
DFT calculation
First-principles study of water reacting with the (110) surface of uranium mononitride
期刊论文
JOURNAL OF NUCLEAR MATERIALS, 2017, 卷号: 492, 页码: 244-252
Authors:
Bo T(薄涛)
;
Lan JH(蓝建慧)
;
Bo, T
;
Lan, JH
;
Zhao, YL
;
He, CH
;
Chai, ZF
;
Shi, WQ
;
Chai ZF(柴之芳)
;
Shi WQ(石伟群)
Adobe PDF(3001Kb)
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View/Download:5/0
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Submit date:2019/08/27
First principles
Uranium mononitride
Surface adsorption
Water
ab initio atomistic thermodynamic
Surface properties of NpO2 and water reacting with stoichiometric and reduced NpO2 (111), (110), and (100) surfaces from ab initio atomistic thermodynamics
期刊论文
SURFACE SCIENCE, 2016, 卷号: 644, 页码: 153-164
Authors:
Bo T(薄涛)
;
Lan JH(蓝建慧)
;
Zhang YJ(张玉娟)
;
Chai ZF(柴之芳)
;
Shi WQ(石伟群)
;
Bo, T
;
Lan, JH
;
Zhao, YL
;
Zhang, YJ
;
He, CH
;
Chai, ZF
;
Shi, WQ
Adobe PDF(2198Kb)
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View/Download:305/1
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Submit date:2016/08/29
First principles
Ab initio atomistic thermodynamics
Neptunium dioxide
Surface adsorption
Water
Adsorption of Radioiodine on Cu2O Surfaces: a First-Principles Density Functional Study
期刊论文
ACTA PHYSICO-CHIMICA SINICA, 2016, 卷号: 32, 期号: 9, 页码: 2264-2270
Authors:
Li, K
;
Zhao, YL
;
Deng, J
;
He, CH
;
Ding, SJ
;
Shi, WQ
;
Shi WQ(石伟群)
Adobe PDF(3658Kb)
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View/Download:22/0
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Submit date:2017/07/24
Radioiodine molecule
Cu2O
Surface adsorption
Low-index surface
Density functional theory calculation
Combined DFT and XPS investigation of iodine anions adsorption on the sulfur terminated (001) chalcopyrite surface
期刊论文
APPLIED SURFACE SCIENCE, 2016, 卷号: 390, 页码: 412-421
Authors:
Li, K
;
Zhao, YL
;
Zhang, P
;
He, CH
;
Deng, J
;
Ding, SJ
;
Shi, WQ
;
Shi WQ(石伟群)
Adobe PDF(1736Kb)
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View/Download:315/3
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Submit date:2017/07/24
Iodine anions
Chalcopyrite
Surface adsorption
DFT calculations
XPS