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期刊论文 [28]
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Adsorption and Desorption of Tritium in Nuclear Graphite at 700 degrees C: A Gas Chromatographic Study Using Hydrogen
期刊论文
OAI收割
NUCLEAR TECHNOLOGY, 2019, 卷号: 205, 期号: 9, 页码: 1143-1153
作者:
Deng, K
;
Zhang, MJ
;
Wu, XJ
;
Zhang, Q
;
Yang, G
  |  
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2020/10/16
IRRADIATED GRAPHITE
REACTORS
DECONTAMINATION
DEUTERIUM
BEHAVIOR
SURFACE
NBG-18
IG-110
Structures and stability of adsorbed methanol on TiO2 (110) surface studied by ab initio thermodynamics and kinetic Monte Carlo simulation
期刊论文
OAI收割
THEORETICAL CHEMISTRY ACCOUNTS, 2018, 卷号: 137, 期号: 10, 页码: 8
作者:
Sun, Keju
;
Li, Wei-Xue
;
Su, Hai-Yan
  |  
收藏
  |  
浏览/下载:29/0
  |  
提交时间:2019/06/20
Methanol adsorption
TiO2 (110) surface
Ab initio thermodynamics
Kinetic Monte Carlo
Temperature-programmed desorption simulation
The location of excess electrons on H2O/TiO2(110) surface and its role in the surface reactions
期刊论文
OAI收割
MOLECULAR PHYSICS, 2018, 卷号: 116, 期号: 2, 页码: 171-178
作者:
Wang, Ruimin
;
Fan, Hongjun
  |  
收藏
  |  
浏览/下载:28/0
  |  
提交时间:2019/06/20
Dft
Excess Electrons
H2o Dissociation
Tio2(110) Surface
DFT study of the adsorption properties of single Pt, Pd, Ag, In and Sn on the gamma-Al2O3 (110) surface
期刊论文
OAI收割
CHEMICAL PHYSICS LETTERS, 2016, 卷号: 657, 期号: 7, 页码: 11-17
作者:
Gao, HW (Gao, Hongwei)
收藏
  |  
浏览/下载:25/0
  |  
提交时间:2016/12/07
DFT
Catalyst
Pt/gamma-Al2O3
Adsorption properties
(110) surface
The tetragonal-like to rutile structural phase transition in epitaxial VO2/TiO2 (001) thick films
期刊论文
OAI收割
NEW JOURNAL OF PHYSICS, 2015, 卷号: 17, 页码: —
作者:
Qiu, HB
;
Yang, MM
;
Dong, YQ
;
Xu, H
;
Hong, B
收藏
  |  
浏览/下载:31/0
  |  
提交时间:2016/03/04
METAL-INSULATOR-TRANSITION
VANADIUM DIOXIDE FILMS
TIO2(110) SURFACE
MOTT TRANSITION
VO2
TEMPERATURE
GROWTH
First-principles study of small palladium clusters on NiAl(110) alloy surface
期刊论文
OAI收割
PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES, 2013, 卷号: 53, 页码: 7-13
作者:
Wu, Ping
;
Cao, Gengyu
;
Tang, Fuling
;
Huang, Min
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2015/06/23
Pd cluster
NiAl(110) surface
First-principles study
Density of states (DOS)
Magnetism
A DFT Study of Acetonitrile Adsorption and Decomposition on the TiO(2) (110) Surface
期刊论文
OAI收割
International Journal of Quantum Chemistry, 2011, 卷号: 111, 期号: 5, 页码: 915-922
X. J. Zou
;
K. N. Ding
;
Y. F. Zhang
;
J. Q. Li
收藏
  |  
浏览/下载:26/0
  |  
提交时间:2012/06/06
acetonitrile
TiO(2) (110) surface
DFT
adsorption
oxide
spectroscopy
reduction
spectra
cu(100)
energy
oxygen
ch3cn
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:37/0
  |  
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
On the Electronic and Structural Properties of Tr-Niobium Oxide Clusters Nb3On- (n=3-8): Photoelectron Spectroscopy and Density Functional Calculations
期刊论文
OAI收割
Journal of Physical Chemistry A, 2010, 卷号: 114, 期号: 19, 页码: 5958-5966
W. J. Chen, H. J. Zhai, Y. F. Zhang, X. Huang and L. S. Wang
收藏
  |  
浏览/下载:27/0
  |  
提交时间:2012/11/02
transition-metal oxide
ab-initio calculations
basis-sets
group-v
ionization-potentials
catalytic activation
sequential oxidation
correlation-energy
primary alcohols
nb(110) surface
Formation energies of low-indexed surfaces of tin dioxide terminated by nonmetals
期刊论文
OAI收割
Solid State Communications, 2010, 卷号: 150, 期号: 19-20, 页码: 957-960
C. H. Sun
;
A. J. Du
;
G. Liu
;
S. Z. Qiao
;
G. Q. Lu
;
S. C. Smith
收藏
  |  
浏览/下载:20/0
  |  
提交时间:2012/04/13
Tin dioxide
Surface stability
Density functional theory
sno2 110 surface
1st-principles calculations
single-crystals
oxide
surface
001 facets
oxygen
chemistry
dissociation
conductivity
nanosheets