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Chinese Academy of Sciences Institutional Repositories Grid
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CAS IR Grid
机构
金属研究所 [5]
大连化学物理研究所 [3]
福建物质结构研究所 [2]
宁波材料技术与工程研... [2]
物理研究所 [1]
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OAI收割 [13]
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期刊论文 [12]
会议论文 [1]
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2012 [1]
2011 [2]
2010 [1]
2009 [1]
2008 [2]
2007 [1]
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学科主题
Chemistry [1]
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Extraordinary catalytic effect of Laves phase Cr and Mn alloys on hydrogen dissociation and absorption
期刊论文
OAI收割
International Journal of Hydrogen Energy, 2012, 卷号: 37, 期号: 2, 页码: 1509-1517
E. D. Wu
;
W. H. Li
;
J. Li
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2013/02/05
Cr and Mn alloy catalysts
Hydrogen dissociation
Hydrogen storage
materials
Hydrogenation at ambient pressure and temperature
desorption-kinetics
storage alloys
adsorption
surface
chemisorption
hydride
energy
carbon
Adsorption of water molecule on (001) and (110) surfaces of MgH2
期刊论文
OAI收割
Surface Science, 2011, 卷号: 605, 期号: 13-14, 页码: 1224-1229
J. H. Dai
;
Y. Song
;
R. Yang
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2012/04/13
Water
Chemisorption
Hydrides
Density functional theory
ab-initio
hydrogen generation
hydrolysis reaction
sodium-borohydride
chemical hydrides
dynamics
mixtures
rh(111)
Hydrogen Sorption from the Mg(NH2)(2)-KH System and Synthesis of an Amide-Imide Complex of KMg(NH)(NH2)
期刊论文
OAI收割
chemsuschem, 2011, 卷号: 4, 期号: 11, 页码: 1622-1628
作者:
Wang, Jianhui
;
Wu, Guotao
;
Chua, Yong Shen
;
Guo, Jianping
;
Xiong, Zhitao
收藏
  |  
浏览/下载:26/0
  |  
提交时间:2015/11/12
chemisorption
hydrogen
magnesium
potassium
synthetic methods
The First-principles Calculations of H2S Adsorption and Decomposition on the ZnO (0001) Surface
期刊论文
OAI收割
Chinese Journal of Structural Chemistry, 2010, 卷号: 29, 期号: 8, 页码: 1139-1146
G. Y. Yin, K. N. Ding and J. Q. Li
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2012/11/02
ZnO (0001) surface
hydrogen sulfide
DFT
decomposition
thermal
decomposition
chemisorption
photoemission
zno(0001)
energy
s-2
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
Density Functional Theory Study on the Adsorption of HCNH and CNH2 on Cu(100) Surface
期刊论文
OAI收割
Chinese Journal of Structural Chemistry, 2008, 卷号: 27, 期号: 10, 页码: 1205-1213
Y. Li
;
J. M. Hu
;
Y. F. Zhang and J. Q. Li
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2013/01/22
density functional theory
adsorption
CNH2
HCNH
Cu(100) surface
cyanogen c2n2
thermal-decomposition
ni(111) surface
pt(111)
hydrogen
aminomethylidyne
chemisorption
methylamine
complexes
chemistry
A mechanistic study of CO removal on a small H-saturated platinum cluster
会议论文
OAI收割
MAY 31-JUN 02, 2008
作者:
Zhou ChengGang
;
Yao ShuJuan
;
Han Bo
;
Chen Liang
;
Wu JinPing
  |  
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2021/12/02
DENSITY-FUNCTIONAL THEORY
MEMBRANE FUEL-CELLS
ELECTRONIC-STRUCTURE CALCULATIONS
CARBON-MONOXIDE
DISSOCIATIVE CHEMISORPTION
DESORPTION DYNAMICS
PHASE-TRANSITIONS
HYDROGEN
OXIDATION
ELECTROOXIDATION
STM observation and first-principles determination of Ge nanoscale structures on Si(111)
期刊论文
OAI收割
PHYSICAL REVIEW B, 2007, 卷号: 75, 期号: 8
Qin, ZH
;
Shi, DX
;
Ma, HF
;
Gao, HJ
;
Rao, AS
;
Wang, SW
;
Pantelides, ST
收藏
  |  
浏览/下载:26/0
  |  
提交时间:2013/09/24
QUANTUM DOTS
ELECTRONIC-STRUCTURE
SURFACE
CLUSTER
RECONSTRUCTION
CHEMISORPTION
BORON
ADSORPTION
HYDROGEN
NANOSTRUCTURES
First-principles study of H adsorption on and absorption in Cu(111) surface
期刊论文
OAI收割
Chemical Physics, 2006, 卷号: 321, 期号: 1-2, 页码: 48-54
J. L. Nie
;
H. Y. Xiao
;
X. T. Zu
收藏
  |  
浏览/下载:32/0
  |  
提交时间:2012/04/14
density functional theory calculations
copper
hydrogen
subsurface
energy-loss spectroscopy
subsurface occupation
atomic-hydrogen
chemisorption
pseudopotentials
vibration
dynamics
pt(111)
First-principles study on the geometry and stability of hydrogen on the Ta(001)(1 x 1) surface
期刊论文
OAI收割
Surface Review and Letters, 2005, 卷号: 12, 期号: 5-6, 页码: 809-817
L. Xu
;
H. Y. Xiao
;
X. T. Zu
收藏
  |  
浏览/下载:22/0
  |  
提交时间:2012/04/14
tantalum
hydrogen
density functional calculations
chemisorption
surface structure
relaxations
energy-loss spectroscopy
adsorption-kinetics
work function
w 001
sites
ru(001)
chemisorption
tungsten
w(100)
states