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科研机构
长春应用化学研究所 [39]
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期刊论文 [39]
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2015 [6]
2014 [4]
2013 [7]
2012 [3]
2011 [4]
2010 [6]
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Assessment of LaM0.25Mn0.75O3-delta (M = Fe, Co, Ni, Cu) as promising cathode materials for intermediate-temperature solid oxide fuel cells
期刊论文
electrochimica acta, 2015, 卷号: 169, 页码: 264-275
作者:
Meng,Junling
;
Yuan,Na
;
Liu,Xiaojuan
;
Yao,Chuanggang
;
Meng,Fanzhi
收藏
  |  
浏览/下载:35/0
  |  
提交时间:2016/05/12
BRILLOUIN-ZONE INTEGRATIONS
AUGMENTED-WAVE METHOD
PEROVSKITES
SURFACE
STABILITY
EXPANSION
BEHAVIOR
LACOO3
ANODE
SOFCS
The oxygen reduction reaction on Pt(111) and Pt(100) surfaces substituted by subsurface Cu: a theoretical perspective
期刊论文
journal of materials chemistry a, 2015, 卷号: 3, 期号: 21, 页码: 11444-11452
作者:
Li,Kai
;
Li,Yang
;
Wang,Ying
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2016/05/03
DENSITY-FUNCTIONAL THEORY
INITIO MOLECULAR-DYNAMICS
TOTAL-ENERGY CALCULATIONS
NITROGEN-DOPED GRAPHENE
ELECTROLYTE FUEL-CELL
AUGMENTED-WAVE METHOD
DEALLOYED PT-CU
CARBON-MONOXIDE
METAL-SURFACES
CO TOLERANCE
Investigations on structures, thermal expansion and electrochemical properties of La0.75Sr0.25Cu0.5-xCoxMn0.5O3-delta (x=0, 0.25, and 0.5) as potential cathodes for intermediate temperature solid oxide fuel cells
期刊论文
electrochimica acta, 2015, 卷号: 186, 页码: 262-270
作者:
Meng,Junling
;
Liu,Xiaojuan
;
Yao,Chuanggang
;
Zhang,Xiong
;
Liu,Xiliang
收藏
  |  
浏览/下载:28/0
  |  
提交时间:2016/05/12
BRILLOUIN-ZONE INTEGRATIONS
ATOMIC LAYER DEPOSITION
AUGMENTED-WAVE METHOD
ELECTRICAL-PROPERTIES
OXYGEN-REDUCTION
SOFC
STABILITY
PRINCIPLES
ELECTRODES
IMPEDANCE
A density functional theory study on 3d metal/graphene for the removal of CO from H-2 feed gas in hydrogen fuel cells
期刊论文
rsc advances, 2015, 卷号: 5, 期号: 21, 页码: 16394-16399
作者:
Li,Kai
;
Li,Yang
;
Tang,Hao
;
Jiao,Menggai
;
Wang,Ying
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2016/05/20
INITIO MOLECULAR-DYNAMICS
TOTAL-ENERGY CALCULATIONS
AUGMENTED-WAVE METHOD
RUTHENIUM AD-ATOMS
CARBON-MONOXIDE
ANODE CATALYSTS
DISSOCIATIVE CHEMISORPTION
PREFERENTIAL OXIDATION
METAL-SURFACES
PT-6 CLUSTER
Theoretical insights on the influence of doped Ni in the early stage of graphene growth duringthe CH4 dissociation on Ni-Cu(111) surface
期刊论文
applied catalysis a-general, 2015, 卷号: 506, 期号: 45, 页码: 1-7
作者:
He,Feng
;
Li,Kai
;
Xie,Guangyou
;
Wang,Ying
;
Jiao,Menggai
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2016/05/20
CHEMICAL-VAPOR-DEPOSITION
MOLECULAR-DYNAMICS SIMULATION
DENSITY-FUNCTIONAL THEORY
TOTAL-ENERGY CALCULATIONS
AUGMENTED-WAVE METHOD
BILAYER GRAPHENE
LARGE-AREA
HIGH-QUALITY
ALLOY FOILS
BASIS-SET
Synergistic Effects of Intrinsic Cation Disorder and Electron-Deficient Substitution on Ion and Electron Conductivity in La1-xSrxCo0.5Mn0.5O3-delta (x=0, 0.5, and 0.75)
期刊论文
inorganic chemistry, 2015, 卷号: 54, 期号: 6, 页码: 2820-2829
作者:
Meng,Junlong
;
Yuan,Na
;
Liu,Xiaojuan
;
Yao,Chuangang
;
Liang,Qingshuang
收藏
  |  
浏览/下载:58/0
  |  
提交时间:2016/05/12
OXIDE FUEL-CELLS
BRILLOUIN-ZONE INTEGRATIONS
AUGMENTED-WAVE METHOD
DOUBLE-PEROVSKITE
ANTISITE DEFECTS
HIGH-PERFORMANCE
CATHODES
MAGNETORESISTANCE
LA2COMNO6
SERIES
Insulator-half metal transition driven by hole doping: a density functional study of Sr-doped La2VMnO6
期刊论文
dalton transactions, 2014, 卷号: 43, 期号: 23, 页码: 8698-8702
Zu, Ningning
;
Wang, Jing
;
Wang, Ying
;
Wu, Zhijian
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2015/10/19
INITIO MOLECULAR-DYNAMICS
TOTAL-ENERGY CALCULATIONS
AUGMENTED-WAVE METHOD
DOUBLE PEROVSKITES
BASIS-SET
MAGNETORESISTANCE
SEARCH
Theoretical Insights on the C2Hy Formation Mechanism During CH4 Dissociation on Cu(100) Surface
期刊论文
journal of physical chemistry c, 2014, 卷号: 118, 期号: 31, 页码: 17662-17669
Li,Kai
;
He,Chaozheng
;
Jiao,Menggai
;
Wang,Ying
;
Liu,Jingyao
;
Wu,Zhijian
收藏
  |  
浏览/下载:32/0
  |  
提交时间:2015/10/15
MOLECULAR-DYNAMICS SIMULATION
TOTAL-ENERGY CALCULATIONS
AUGMENTED-WAVE METHOD
GRAPHENE GROWTH
STEP-EDGE
BASIS-SET
NUCLEATION
CU
COPPER
1ST-PRINCIPLES
Hidden Thermodynamic Ground State of Calcium Diazenide
期刊论文
journal of physical chemistry c, 2014, 卷号: 118, 期号: 1, 页码: 650-656
Wang, Hui
;
Yao, Yansun
;
Si, Yanling
;
Wu,Zhijian
;
Vaitheeswaran,G.
收藏
  |  
浏览/下载:20/0
  |  
提交时间:2015/10/15
AUGMENTED-WAVE METHOD
HIGH-PRESSURE
CRYSTAL-STRUCTURE
STRUCTURE PREDICTION
NEUTRON DIFFRACTION
SUPERCONDUCTIVITY
PERNITRIDE
NITRIDE
1ST-PRINCIPLES
DUMBBELLS
A first-principles study on the role of hydrogen in early stage of graphene growth during the CH4 dissociation on Cu(111) and Ni(111) surfaces
期刊论文
carbon, 2014, 卷号: 74, 期号: 10, 页码: 255-265
Li, Kai
;
He, Chaozheng
;
Jiao, Menggai
;
Wang,Ying
;
Wu,Zhijian
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2015/05/26
MOLECULAR-DYNAMICS SIMULATION
TOTAL-ENERGY CALCULATIONS
AUGMENTED-WAVE METHOD
CATALYTIC-HYDROGENATION
DEFECTIVE GRAPHENE
HIGH-QUALITY
BASIS-SET
COPPER
CVD
TRANSITION
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