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中国科学院上海应用物理研究所机构知识库
Knowledge Management System Of Shanghai Institute of Applied Physics, CAS
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Water-Mediated Spontaneously Dynamic Oxygen Migration on Graphene Oxide with Structural Adaptivity for Biomolecule Adsorption*
期刊论文
CHINESE PHYSICS LETTERS, 2020, 卷号: 37, 期号: 6, 页码: -
Authors:
Tu, YS
;
Zhao, L
;
Sun, JJ
;
Wu, YY
;
Zhou, XJ
;
Chen, L
;
Lei, XL
;
Fang, HP
;
Shi, GS
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Submit date:2021/09/06
COVALENT CHEMISTRY
DEVICES
SERIES
BOND
Migration behavior of tellurium in bcc iron against typical alloying elements: A first-principles study
期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2020, 卷号: 181, 页码: -
Authors:
Zhang, ZD
;
Ren, CL
;
Tan, ML
;
Yang, YQ
;
Yin, YR
;
Wang, CY
;
Han, H
;
Huai, P
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Submit date:2021/09/06
INITIO MOLECULAR-DYNAMICS
SOLVENT SELF-DIFFUSION
AB-INITIO
ALPHA-IRON
FE
VACANCIES
NICKEL
ENERGY
DIFFUSIVITIES
TRANSITION
Single-atom Rh/N-doped carbon electrocatalyst for formic acid oxidation
期刊论文
NATURE NANOTECHNOLOGY, 2020, 卷号: 15, 期号: 5, 页码: 390-+
Authors:
Xiong, Y
;
Dong, JC
;
Huang, ZQ
;
Xin, PY
;
Chen, WX
;
Wang, Y
;
Li, Z
;
Jin, Z
;
Xing, W
;
Zhuang, ZB
;
Ye, JY
;
Wei, X
;
Cao, R
;
Gu, L
;
Sun, SG
;
Zhuang, L
;
Chen, XQ
;
Yang, H
;
Chen, C
;
Peng, Q
;
Chang, CR
;
Wang, DS
;
Li, YD
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Submit date:2021/09/06
INITIO MOLECULAR-DYNAMICS
OXYGEN REDUCTION
PALLADIUM NANOSHEETS
CATALYSTS
IDENTIFICATION
TRANSITION
GRAPHENE
ELECTROOXIDATION
DECOMPOSITION
CONVERSION
Selectivity mechanism of magnesium and calcium in cation-binding pocket structures of phosphotyrosine
期刊论文
PHYSICAL REVIEW E, 2020, 卷号: 101, 期号: 2, 页码: -
Authors:
Tu, YS
;
Liu, HD
;
Shi, GS
;
Zhang, FM
;
Su, T
;
Wu, YY
;
Sun, JJ
;
Zhang, L
;
Zhang, SL
;
Fang, HP
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Submit date:2021/09/06
METAL-IONS
CRYSTAL-STRUCTURES
PI INTERACTIONS
DENSITY
ACTIVATION
WATER
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
Authors:
Zhang, ZX
;
Zhang, HY
;
Zhang, W
;
Chen, XG
;
Wang, H
;
Xiong, RG
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View/Download:27/7
  |  
Submit date:2021/09/06
INITIO MOLECULAR-DYNAMICS
TOTAL-ENERGY CALCULATIONS
DIELECTRIC-PROPERTIES
TEMPERATURE
TRANSITION
SALT
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
Authors:
Chen, XL
;
He, F
;
Fang, WN
;
Shen, JL
;
Liu, XG
;
Xue, YR
;
Liu, HB
;
Li, J
;
Wang, LH
;
Li, YL
;
Fan, CH
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Submit date:2021/09/06
INITIO MOLECULAR-DYNAMICS
TOTAL-ENERGY CALCULATIONS
BIOLOGICAL SYNTHESIS
OPTICAL-PROPERTIES
NANOWIRES
GRAPHENE
SURFACE
IDENTIFICATION
TRANSITION
ADSORPTION
Ceria-supported ruthenium clusters transforming from isolated single atoms for hydrogen production via decomposition of ammonia
期刊论文
APPLIED CATALYSIS B-ENVIRONMENTAL, 2020, 卷号: 268, 页码: -
Authors:
Hu, XC
;
Fu, XP
;
Wang, WW
;
Wang, X
;
Wu, K
;
Si, R
;
Ma, C
;
Jia, CJ
;
Yan, CH
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View/Download:38/8
  |  
Submit date:2021/09/06
INITIO MOLECULAR-DYNAMICS
COX-FREE HYDROGEN
SELECTIVE SYNTHESIS
GOLD NANOPARTICLES
NH3 DECOMPOSITION
STABLE CATALYSTS
CARBON NANOTUBES
RU NANOPARTICLES
OXIDE CLUSTER
METAL
In situ formation of mononuclear complexes by reaction-induced atomic dispersion of supported noble metal nanoparticles
期刊论文
NATURE COMMUNICATIONS, 2019, 卷号: 10, 页码: -
Authors:
Feng, SQ
;
Song, XE
;
Liu, Y
;
Lin, XS
;
Yan, L
;
Liu, SY
;
Dong, WR
;
Yang, XM
;
Jiang, Z
;
Ding, YJ
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View/Download:47/13
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Submit date:2020/10/16
INITIO MOLECULAR-DYNAMICS
TOTAL-ENERGY CALCULATIONS
HETEROGENEOUS CATALYSIS
ACTIVE-SITES
GOLD
CARBONYLATION
REDISPERSION
CHEMISTRY
METHANOL
RHODIUM
Construction of Active Site in a Sintered Copper-Ceria Nanorod Catalyst
期刊论文
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2019, 卷号: 141, 期号: 44, 页码: 17548-17557
Authors:
Yu, WZ
;
Wang, WW
;
Li, SQ
;
Fu, XP
;
Wang, X
;
Wu, K
;
Si, R
;
Ma, C
;
Jia, CJ
;
Yan, CH
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Submit date:2020/10/16
INITIO MOLECULAR-DYNAMICS
GAS SHIFT REACTION
CO OXIDATION
CARBON-MONOXIDE
GOLD NANOPARTICLES
CUO-CEO2 CATALYSTS
CRYSTAL PLANE
OXIDE CLUSTER
TRANSITION
ADSORPTION
Concentration-dependent structure of mixed NH4Cl and (NH4)(2)SO4 aqueous solutions from the X-ray diffraction, Raman spectroscopy and molecular dynamics simulations
期刊论文
JOURNAL OF MOLECULAR STRUCTURE, 2019, 卷号: 1185, 期号: -, 页码: 469—477
Authors:
Wang, JH
;
Lin, H
;
Li, F
;
Li, SY
;
An, SS
;
Yuan, JS
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View/Download:86/19
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Submit date:2019/12/30
AB-INITIO
WATER-STRUCTURE
HYDRATION
AMMONIUM
HYDROGEN
ION
SCATTERING
K+
TEMPERATURE
SOLVATION