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科研机构
金属研究所 [10]
内容类型
期刊论文 [10]
发表日期
2012 [10]
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发表日期:2012
专题:金属研究所
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A red anatase TiO2 photocatalyst for solar energy conversion
期刊论文
Energy & Environmental Science, 2012, 卷号: 5, 期号: 11, 页码: 9603-9610
G. Liu
;
L. C. Yin
;
J. Q. Wang
;
P. Niu
;
C. Zhen
;
Y. P. Xie
;
H. M. Cheng
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2013/02/05
visible-light irradiation
augmented-wave method
titanium-dioxide
oxide photocatalysts
hydrogen-production
surface science
basis-set
nitrogen
water
boron
Detailed check of the LDA plus U and GGA plus U corrected method for defect calculations in wurtzite ZnO
期刊论文
Computer Physics Communications, 2012, 卷号: 183, 期号: 8, 页码: 1749-1752
G. Y. Huang
;
C. Y. Wang
;
J. T. Wang
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2013/02/05
Band-gap problems
LDA plus U and GGA plus U
ZnO
First-principles
augmented-wave method
The effects of alloying elements on generalized stacking fault energies, strength and ductility of gamma '-Ni3Al
期刊论文
Materials Science and Engineering a-Structural Materials Properties Microstructure and Processing, 2012, 卷号: 539, 页码: 38-41
X. X. Yu
;
C. Y. Wang
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  |  
浏览/下载:14/0
  |  
提交时间:2013/02/05
Ni-based superalloys
First-principles
Strengthening
Alloying elements
anomalous yield behavior
augmented-wave method
electronic-structure
dislocation nucleation
ni3al
superalloys
metals
nickel
complex
boron
Crystal facet-dependent photocatalytic oxidation and reduction reactivity of monoclinic WO3 for solar energy conversion
期刊论文
Journal of Materials Chemistry, 2012, 卷号: 22, 期号: 14, 页码: 6746-6751
Y. P. Xie
;
G. Liu
;
L. C. Yin
;
H. M. Cheng
收藏
  |  
浏览/下载:25/0
  |  
提交时间:2013/02/05
light-driven photocatalysts
augmented-wave method
visible-light
hydrogen-production
tungsten-oxide
tio2
water
surface
nanocrystals
efficiency
Tailor-made ultrathin manganese oxide nanostripes: 'magic widths' on Pd(1 1 N) terraces
期刊论文
Journal of Physics-Condensed Matter, 2012, 卷号: 24, 期号: 4
C. Franchini
;
F. Li
;
S. Surnev
;
R. Podloucky
;
F. Allegretti
;
F. P. Netzer
收藏
  |  
浏览/下载:20/0
  |  
提交时间:2013/02/05
augmented-wave method
vicinal surfaces
organized growth
metals
nanostructures
dynamics
systems
Oxygen Bridges between NiO Nanosheets and Graphene for Improvement of Lithium Storage
期刊论文
Acs Nano, 2012, 卷号: 6, 期号: 4, 页码: 3214-3223
G. M. Zhou
;
D. W. Wang
;
L. C. Yin
;
N. Li
;
F. Li
;
H. M. Cheng
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2013/02/05
graphene
NiO nanosheets
oxygen bridge
oxygen functional groups
density functional theory
lithium ion batteries
li-ion batteries
negative-electrode materials
augmented-wave method
minimum energy paths
elastic band method
anode material
nanostructured materials
reversible capacity
cyclic performance
saddle-points
First-principles studies of structural stabilities and enthalpies of formation of refractory intermetallics: TM and TM3 (T = Ti, Zr, Hf; M = Ru, Rh, Pd, Os, Ir, Pt)
期刊论文
Intermetallics, 2012, 卷号: 28, 页码: 16-24
W. W. Xing
;
X. Q. Chen
;
D. Z. Li
;
Y. Y. Li
;
C. L. Fu
;
S. V. Meschel
;
X. Y. Ding
收藏
  |  
浏览/下载:89/0
  |  
提交时间:2013/02/05
Intermetallics
Thermodynamic and thermochemical properties
Ab initio
calculations
direct synthesis calorimetry
temperature mixing calorimetry
total-energy calculations
augmented-wave method
standard enthalpies
phase-transformations
electronic-properties
transition-metals
ordered
alloys
binary-alloys
Heteroepitaxial Growth of Single-Walled Carbon Nanotubes from Boron Nitride
期刊论文
Scientific Reports, 2012, 卷号: 2
D. M. Tang
;
L. L. Zhang
;
C. Liu
;
L. C. Yin
;
P. X. Hou
;
H. Jiang
;
Z. Zhu
;
F. Li
;
B. L. Liu
;
E. I. Kauppinen
;
H. M. Cheng
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2013/02/05
total-energy calculations
augmented-wave method
elastic band method
preferential growth
selective synthesis
molecular-dynamics
saddle-points
basis-set
catalyst
nanoparticles
Ferroelectricity and superparamagnetism in Sr/Ti nonstoichiometric SrTiO3
期刊论文
Physical Review B, 2012, 卷号: 85, 期号: 10
Y. Y. Guo
;
H. M. Liu
;
D. P. Yu
;
J. M. Liu
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2013/02/05
augmented-wave method
polarization
growth
Effect of alloying element on dislocation cross-slip in gamma '-Ni3Al: a first-principles study
期刊论文
Philosophical Magazine, 2012, 卷号: 92, 期号: 32, 页码: 4028-4039
X. X. Yu
;
C. Y. Wang
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2013/02/05
density functional theory
dislocation mobility
electronic structure
plastic flow properties
anomalous yield behavior
augmented-wave method
atomistic simulations
fault energies
ni3al alloys
nickel
superalloys
ternary
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