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Chinese Academy of Sciences Institutional Repositories Grid
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机构
物理研究所 [5]
金属研究所 [2]
宁波材料技术与工程研... [2]
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兰州化学物理研究所 [1]
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OAI收割 [11]
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期刊论文 [11]
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2022 [1]
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Friction behavior and structural evolution of hexagonal boron nitride: a relation to environmental molecules containing −OH functional group
期刊论文
OAI收割
ACS APPLIED MATERIALS & INTERFACES, 2022, 卷号: 14, 期号: 25, 页码: 29462–29463
作者:
Bai Changning
;
Zhang Bin
  |  
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2023/12/08
hexagonal boron nitride
friction behavior
structural evolution
first-principles calculations
dissociative adsorption
Weak and strong hydrogen interactions on porous carbon materials in high-temperature systems
期刊论文
OAI收割
JOURNAL OF NUCLEAR MATERIALS, 2019, 卷号: 519, 期号: -, 页码: 173—181
作者:
Lam, ST
;
Dolan, K
;
Liu, WG
;
Ballinger, R
;
Forsberg, C
  |  
收藏
  |  
浏览/下载:60/0
  |  
提交时间:2019/12/30
DENSITY-FUNCTIONAL THEORY
DISSOCIATIVE ADSORPTION
GRAPHITE
DESORPTION
ARMCHAIR
STORAGE
EDGES
H-2
Ab initio molecular dynamics simulation on interfacial reaction behavior of Fe-Cr-Ni stainless steel in high temperature water
期刊论文
OAI收割
COMPUTATIONAL MATERIALS SCIENCE, 2018, 卷号: 149, 页码: 143-152
作者:
Wang, HT
;
Han, EH
;
Wang, HT (reprint author), Chinese Acad Sci, Inst Met Res, CAS Key Lab Nucl Mat & Safety Assessment, Shenyang 110016, Liaoning, Peoples R China.
  |  
收藏
  |  
浏览/下载:29/0
  |  
提交时间:2018/06/05
Stress-corrosion Cracking
Generalized-gradient Approximation
Pwr Primary Water
Crevice Corrosion
Oxide-films
Dissociative Adsorption
Electrochemical Noise
Pressurized-water
Aqueous-solutions
Pure Water
The Interactions between High Temperature Water and Fe3O4(111) by First-Principles Molecular Dynamics Simulation
期刊论文
OAI收割
INTERNATIONAL JOURNAL OF ELECTROCHEMICAL SCIENCE, 2018, 卷号: 13, 期号: 3, 页码: 2430-2440
作者:
Haitao, WT
;
Sun, XF
;
Han, EH
;
Haitao, WT (reprint author), Chinese Acad Sci, Inst Met Res, CAS Key Lab Nucl Mat & Safety Assessment, Shenyang 110016, Liaoning, Peoples R China.
  |  
收藏
  |  
浏览/下载:28/0
  |  
提交时间:2018/06/05
316l Stainless-steel
Dissociative Adsorption
Electrochemical Noise
Corrosion Behavior
Ab-initio
304-stainless-steel
Chemistry
Surface
Resistance
Oxidation
Water wetting on representative metal surfaces: Improved description from van der Waals density functionals
期刊论文
OAI收割
CHEMICAL PHYSICS LETTERS, 2012, 卷号: 521, 页码: 161
Hamada, I
;
Meng, S
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2013/09/23
GENERALIZED GRADIENT APPROXIMATION
DISSOCIATIVE ADSORPTION
RU(0001)
CU(110)
INTACT
Quantum simulation of molecular interaction and dynamics at surfaces
期刊论文
OAI收割
FRONTIERS OF PHYSICS, 2011, 卷号: 6, 期号: 3, 页码: 294
Ding, ZJ
;
Jiao, Y
;
Meng, S
收藏
  |  
浏览/下载:31/0
  |  
提交时间:2013/09/24
WALLED CARBON NANOTUBES
DENSITY-FUNCTIONAL THEORY
SINGLE-STRANDED-DNA
SOLAR-CELLS
DISSOCIATIVE ADSORPTION
WATER DISSOCIATION
OPTICAL-ABSORPTION
AQUEOUS-SOLUTION
CU(110) SURFACE
METAL-SURFACES
Cooperativity in Surface Bonding and Hydrogen Bonding of Water and Hydroxyl at Metal Surfaces
期刊论文
OAI收割
JOURNAL OF PHYSICAL CHEMISTRY C, 2010, 卷号: 114, 期号: 22, 页码: 10240
Schiros, T
;
Ogasawara, H
;
Naslund, LA
;
Andersson, KJ
;
Ren, J
;
Meng, S
;
Karlberg, GS
;
Odelius, M
;
Nilsson, A
;
Pettersson, LGM
收藏
  |  
浏览/下载:29/0
  |  
提交时间:2013/09/17
RAY-EMISSION SPECTROSCOPY
DENSITY-FUNCTIONAL THEORY
INITIO MOLECULAR-DYNAMICS
NEAR-AMBIENT CONDITIONS
AB-INITIO
DISSOCIATIVE ADSORPTION
CORRELATION-ENERGY
CLUSTERS (H2O)(N)
CU(110) SURFACE
ELECTRON-GAS
Hydrogen adsorption and desorption on the Pt and Pd subnano clusters - a review
期刊论文
OAI收割
FRONTIERS OF PHYSICS IN CHINA, 2009, 卷号: 4, 期号: 3, 页码: 356-366
Chen L
;
Zhou CG
;
Wu JP
;
Cheng HS
收藏
  |  
浏览/下载:22/0
  |  
提交时间:2010/10/09
DENSITY-FUNCTIONAL THEORY
H-2 DISSOCIATIVE ADSORPTION
METAL-ORGANIC FRAMEWORKS
PLATINUM CLUSTERS
SURFACES
PT(111)
CHEMISORPTION
MOLECULES
SPILLOVER
DIFFUSION
Sequential H-2 Chemisorption and H Desorption on Icosahedral Pt-13 and Pd-13 Clusters: A Density Functional Theory Study
期刊论文
OAI收割
JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE, 2009, 卷号: 6, 期号: 6, 页码: 1320-1327
Zhou CG
;
Yao SJ
;
Wu JP
;
Chen L
;
Forrey RR
;
Cheng HS
收藏
  |  
浏览/下载:30/0
  |  
提交时间:2010/06/22
HYDROGEN DISSOCIATIVE CHEMISORPTION
PT(111) SURFACE
ATOMIC-HYDROGEN
PLATINUM CLUSTERS
ADSORPTION
PD
MOLECULES
PALLADIUM
PD(111)
DIFFUSION
Atomic oxygen adsorption and incipient oxidation of the Pb(111) surface: A density-functional theory study
期刊论文
OAI收割
PHYSICAL REVIEW B, 2008, 卷号: 78, 期号: 3
Sun, B
;
Zhang, P
;
Wang, ZG
;
Duan, SQ
;
Zhao, XG
;
Ma, XC
;
Xue, QK
收藏
  |  
浏览/下载:27/0
  |  
提交时间:2013/09/17
SCANNING-TUNNELING-MICROSCOPY
TOTAL-ENERGY CALCULATIONS
WAVE BASIS-SET
DISSOCIATIVE ADSORPTION
ELECTRONIC-STRUCTURE
MOLECULAR-DYNAMICS
CHEMISORBED OXYGEN
AL(111) SURFACE
CU(111)
O-2