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科研机构
上海应用物理研究所 [83]
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期刊论文 [83]
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2020 [16]
2019 [18]
2018 [25]
2017 [8]
2016 [4]
2015 [1]
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Physics [1]
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Organometallic-Based Hybrid Perovskite Piezoelectrics with a Narrow Band Gap
期刊论文
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2020, 卷号: 142, 期号: 41, 页码: 17787-17794
作者:
Zhang, ZX
;
Zhang, HY
;
Zhang, W
;
Chen, XG
;
Wang, H
收藏
  |  
浏览/下载:43/0
  |  
提交时间:2021/09/06
INITIO MOLECULAR-DYNAMICS
TOTAL-ENERGY CALCULATIONS
DIELECTRIC-PROPERTIES
TEMPERATURE
TRANSITION
SALT
Revealing the role of tellurium in palladium-tellurium catalysts for the direct synthesis of hydrogen peroxide
期刊论文
JOURNAL OF CATALYSIS, 2020, 卷号: 385, 页码: 21-29
作者:
Tian, PF
;
Xuan, FZ
;
Ding, DD
;
Sun, Y
;
Xu, XY
收藏
  |  
浏览/下载:36/0
  |  
提交时间:2021/09/06
NEAR-ATMOSPHERIC PRESSURES
TOTAL-ENERGY CALCULATIONS
FINDING SADDLE-POINTS
DIRECT H2O2 SYNTHESIS
AT-PD SURFACES
ULTRAHIGH-VACUUM
ACTIVE-SITES
CO OXIDATION
H-2
O-2
Role of local coordination in bimetallic sites for oxygen reduction: A theoretical analysis
期刊论文
JOURNAL OF ENERGY CHEMISTRY, 2020, 卷号: 44, 页码: 131-137
作者:
Yang, YQ
;
Zhang, H
;
Liang, ZF
;
Yin, YR
;
Mei, BB
收藏
  |  
浏览/下载:80/0
  |  
提交时间:2021/09/06
TOTAL-ENERGY CALCULATIONS
ACTIVE-SITES
ELECTROCATALYSTS
CATALYSTS
DESIGN
IDENTIFICATION
PERFORMANCE
CARBON
CON4
Selective shortening of gold nanorods: when surface functionalization dictates the reactivity of nanostructures
期刊论文
NANOSCALE, 2020, 卷号: 12, 期号: 44, 页码: 22658-22667
作者:
Khelfa, A
;
Meng, J
;
Byun, C
;
Wang, GL
;
Nelayah, J
收藏
  |  
浏览/下载:95/0
  |  
提交时间:2021/09/06
TOTAL-ENERGY CALCULATIONS
IN-SITU
NANOPARTICLES
BIODEGRADATION
METALS
GROWTH
ADSORPTION
NUCLEATION
NANOCUBES
DYNAMICS
Unrevealing the thermophysical properties and microstructural evolution of MgCl2-NaCl-KCl eutectic: FPMD simulations and experimental measurements
期刊论文
SOLAR ENERGY MATERIALS AND SOLAR CELLS, 2020, 卷号: 210, 页码: -
作者:
Li, XJ
;
Li, N
;
Liu, WH
;
Tang, ZF
;
Wang, JQ
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2021/09/06
MOLECULAR-DYNAMICS SIMULATIONS
TOTAL-ENERGY CALCULATIONS
TRANSPORT-PROPERTIES
LOCAL STRUCTURES
THERMAL-CONDUCTIVITY
CORROSION BEHAVIOR
MOLTEN CHLORIDE
SHEAR VISCOSITY
SALTS
The phase equilibria of the Ti-V-M (M = Si, Nb, Ta) ternary systems
期刊论文
INTERMETALLICS, 2020, 卷号: 118, 页码: -
作者:
Hu, B
;
Yao, B
;
Wang, J
;
Liu, Y
;
Wang, CJ
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2021/09/06
TOTAL-ENERGY CALCULATIONS
REGULAR SOLUTION MODEL
THERMODYNAMIC CALCULATION
BINARY
CR
DNA-Guided Room-Temperature Synthesis of Single-Crystalline Gold Nanostructures on Graphdiyne Substrates
期刊论文
ACS CENTRAL SCIENCE, 2020, 卷号: 6, 期号: 5, 页码: 779-786
作者:
Chen, XL
;
He, F
;
Fang, WN
;
Shen, JL
;
Liu, XG
收藏
  |  
浏览/下载:39/0
  |  
提交时间:2021/09/06
INITIO MOLECULAR-DYNAMICS
TOTAL-ENERGY CALCULATIONS
BIOLOGICAL SYNTHESIS
OPTICAL-PROPERTIES
NANOWIRES
GRAPHENE
SURFACE
IDENTIFICATION
TRANSITION
ADSORPTION
Efficient and stable Ruddlesden-Popper perovskite solar cell with tailored interlayer molecular interaction
期刊论文
NATURE PHOTONICS, 2020, 卷号: 14, 期号: 3, 页码: 154-
作者:
Ren, H
;
Yu, SD
;
Chao, LF
;
Xia, YD
;
Sun, YH
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2021/09/06
TOTAL-ENERGY CALCULATIONS
OPTICAL-PROPERTIES
HALIDE PEROVSKITES
STABILITY
MIGRATION
LENGTHS
SULFUR
Engineering unsymmetrically coordinated Cu-S1N3 single atom sites with enhanced oxygen reduction activity
期刊论文
NATURE COMMUNICATIONS, 2020, 卷号: 11, 期号: 1, 页码: -
作者:
Shang, HS
;
Zhou, XY
;
Dong, JC
;
Li, A
;
Zhao, X
收藏
  |  
浏览/下载:69/0
  |  
提交时间:2021/09/06
METAL-ORGANIC-FRAMEWORK
TOTAL-ENERGY CALCULATIONS
FE-N-C
RATIONAL DESIGN
ELECTROCATALYSTS
EVOLUTION
CATALYSTS
COPPER
CARBON
IDENTIFICATION
A novel self-assembly approach for synthesizing nanofiber aerogel supported platinum single atoms
期刊论文
JOURNAL OF MATERIALS CHEMISTRY A, 2020, 卷号: 8, 期号: 30, 页码: 15094-15102
作者:
Zhang, HJ
;
Zhao, YH
;
Sun, Y
;
Xu, Q
;
Yang, RO
收藏
  |  
浏览/下载:38/0
  |  
提交时间:2021/09/06
OXYGEN REDUCTION REACTION
TOTAL-ENERGY CALCULATIONS
WATER OXIDATION
METAL
NANOWIRES
OXIDE
CATALYST
GROWTH
NANOPARTICLES
CONDUCTORS
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