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科研机构
金属研究所 [24]
上海硅酸盐研究所 [3]
内容类型
期刊论文 [27]
发表日期
2018 [27]
学科主题
Chemistry... [27]
Materials... [19]
Nanoscien... [11]
Chemistry,... [9]
Physics, C... [5]
Energy & F... [4]
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发表日期:2018
学科主题:Chemistry, Physical
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DFT study on the active site of the monometric molybdenum anchored on silica for the selective oxidation of ethane to acetaldehyde
期刊论文
MOLECULAR CATALYSIS, 2018, 卷号: 460, 页码: 83-86
作者:
Sun, XY
;
Han, P
;
Li, PP
;
Li, B
;
Zhao, Z
收藏
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浏览/下载:30/0
  |  
提交时间:2018/12/25
Active site
DFT
Molybdenum oxide
Selective oxidation
Effects of alloying elements (Al, Mn, Ru) on desorption plateau pressures of vanadium hydrides: An experimental and first-principles study
期刊论文
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2018, 卷号: 43, 期号: 46, 页码: 21441-21450
作者:
Liu, ZY
;
Xiong, LY
;
Li, J
;
Liu, S
;
Er, S
收藏
  |  
浏览/下载:222/0
  |  
提交时间:2018/12/25
Vanadium hydrides
Desorption plateau pressure
Metal hydrides
Hardness
Density functional theory
Phosphorus-doped onion-like carbon for CO2 electrochemical reduction: the decisive role of the bonding configuration of phosphorus
期刊论文
JOURNAL OF MATERIALS CHEMISTRY A, 2018, 卷号: 6, 期号: 41, 页码: -
作者:
Liu, TF
;
Ali, S
;
Lian, Z
;
Si, CW
;
Su, DS
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  |  
浏览/下载:27/0
  |  
提交时间:2018/12/25
Rhombohedral-Orthorhombic Ferroelectric Morphotropic Phase Boundary Associated with a Polar Vortex in BiFeO3 Films
期刊论文
ACS NANO, 2018, 卷号: 12, 期号: 11, 页码: 11098-11105
作者:
Geng, WR
;
Guo, XW
;
Zhu, YL
;
Tang, YL
;
Feng, YP
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  |  
浏览/下载:39/0
  |  
提交时间:2018/12/25
BiFeO3 ferroelectric films
vortices
morphotropic phase boundary
aberration-corrected scanning transmission electron microscopy
first-principles calculations
Atomically Dispersed Fe-N-x/C Electrocatalyst Boosts Oxygen Catalysis via a New Metal-Organic Polymer Supramolecule Strategy
期刊论文
ADVANCED ENERGY MATERIALS, 2018, 卷号: 8, 期号: 24, 页码: -
作者:
Miao, ZP
;
Wang, XM
;
Tsai, MC
;
Jin, QQ
;
Liang, JS
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  |  
浏览/下载:36/0
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提交时间:2018/12/25
electrocatalysis
energy conversion
fuel cells
oxygen reduction reaction
single atom catalyst
The surface energy and stress of metals
期刊论文
SURFACE SCIENCE, 2018, 卷号: 674, 页码: 51-68
作者:
Lee, JY
;
Punkkinen, MPJ
;
Schonecker, S
;
Nabi, Z
;
Kadas, K
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  |  
浏览/下载:20/0
  |  
提交时间:2018/12/25
Surface relaxation
Surface energy
Surface stress
Density-functional theory calculations
Metals
Inducing Strong Superconductivity in WTe2 by a Proximity Effect
期刊论文
ACS NANO, 2018, 卷号: 12, 期号: 7, 页码: 7185-7196
作者:
Huang, C
;
Narayan, A
;
Zhang, EZ
;
Liu, YW
;
Yan, X
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  |  
浏览/下载:23/0
  |  
提交时间:2018/12/25
WTe2
superconducting proximity effect
Andreev reflection
Bogoliubov-de Gennes equations
topological semimetals
Hollow CaTiO3 cubes modified by La/Cr co-doping for efficient photocatalytic hydrogen production
期刊论文
APPLIED CATALYSIS B-ENVIRONMENTAL, 2018, 卷号: 225, 页码: 139-147
作者:
Wang, RN
;
Ni, S
;
Liu, G
;
Xu, XX
;
Xu, XX (reprint author), Tongji Univ, Shanghai Key Lab Chem Assessment & Sustainabil, Sch Chem Sci & Engn, 1239 Siping Rd, Shanghai 200092, Peoples R China.
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  |  
浏览/下载:15/0
  |  
提交时间:2018/06/05
Visible-light Irradiation
H-2 Production
In-situ
Codoped Srtio3
Evolution
Chromium
Water
Driven
Tio2
Nanostructures
Comprehensive first-principles study of transition-metal substitution in the gamma phase of nickel-based superalloys
期刊论文
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY, 2018, 卷号: 61, 页码: 41-49
作者:
Chen, WL
;
Xing, WW
;
Ma, H
;
Ding, XY
;
Chen, XQ
收藏
  |  
浏览/下载:36/0
  |  
提交时间:2018/12/25
Nickel-based superalloys
Fcc nickel
Substitution enthalpy
Revealing the Janus Character of the Coke Precursor in the Propane Direct Dehydrogenation on Pt Catalysts from a kMC Simulation
期刊论文
ACS CATALYSIS, 2018, 卷号: 8, 期号: 5, 页码: 4694-4704
作者:
Lian, Z
;
Ali, S
;
Liu, TF
;
Si, CW
;
Li, B
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2018/12/25
propane dehydrogenation
kinetic Monte Carlo
density functional theory
platinum catalyst
coke
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