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科研机构
物理研究所 [49]
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期刊论文 [49]
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2013 [1]
2012 [3]
2011 [3]
2010 [5]
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专题:物理研究所
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Regulating energy transfer of excited carriers and the case for excitation-induced hydrogen dissociation on hydrogenated graphene
期刊论文
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2013, 卷号: 110, 期号: 3, 页码: 908
Bang, J
;
Meng, S
;
Sun, YY
;
West, D
;
Wang, ZG
;
Gao, F
;
Zhang, SB
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浏览/下载:18/0
  |  
提交时间:2014/01/16
photodissociation
nonadiabatic dynamics
first-principles calculation
Turning on and off the Rotational Oscillation of a Single Porphine Molecule by Molecular Charge State
期刊论文
ACS NANO, 2012, 卷号: 6, 期号: 5, 页码: 4132
Yan, SC
;
Ding, ZJ
;
Xie, N
;
Gong, HQ
;
Sun, Q
;
Guo, Y
;
Shan, XY
;
Meng, S
;
Lu, XH
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  |  
浏览/下载:16/0
  |  
提交时间:2013/09/23
SCANNING TUNNELING MICROSCOPE
AB-INITIO
MOTOR
TRANSISTOR
DYNAMICS
SURFACE
MOTION
ROTOR
Effects of solute-solute avoidance on metallic glass formation
期刊论文
JOURNAL OF NON-CRYSTALLINE SOLIDS, 2012, 卷号: 358, 期号: 20, 页码: 2749
Dong, BS
;
Zhou, SX
;
Li, DR
;
Qin, JY
;
Pan, SP
;
Wang, YG
;
Li, ZB
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浏览/下载:15/0
  |  
提交时间:2013/09/17
FORMING ABILITY
AMORPHOUS-ALLOYS
LOCAL-STRUCTURE
CRYSTALLIZATION
ORDER
Ab initio-based double many-body expansion potential energy surface for the first excited triplet state of the ammonia molecule
期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2012, 卷号: 136, 期号: 19
Li, YQ
;
Song, YZ
;
Song, P
;
Li, YZ
;
Ding, Y
;
Sun, MT
;
Ma, FC
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  |  
浏览/下载:22/0
  |  
提交时间:2013/09/17
CONFIGURATION-INTERACTION CALCULATIONS
SELECTIVE PHOTODISSOCIATION DYNAMICS
GROUND-STATE
MULTIPROPERTY FIT
DOUBLE-RESONANCE
FORCE-FIELD
BASIS-SETS
NH3
DISSOCIATION
HYDROGEN
Atomistic mechanism of charge separation upon photoexcitation at the dye-semiconductor interface for photovoltaic applications
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2011, 卷号: 13, 期号: 29, 页码: 13196
Jiao, Y
;
Ding, ZJ
;
Meng, S
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浏览/下载:16/0
  |  
提交时间:2013/09/17
SENSITIZED SOLAR-CELLS
ULTRAFAST ELECTRON INJECTION
DENSITY-FUNCTIONAL THEORY
AB-INITIO
ANATASE TIO2
MOLECULAR-DYNAMICS
FILMS
RECOMBINATION
ABSORPTION
SIMULATION
Acetone adsorption on ice investigated by X-ray spectroscopy and density functional theory
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2011, 卷号: 13, 期号: 44, 页码: 19988
Starr, DE
;
Pan, D
;
Newberg, JT
;
Ammann, M
;
Wang, EG
;
Michaelides, A
;
Bluhm, H
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浏览/下载:15/0
  |  
提交时间:2013/09/17
INITIO MOLECULAR-DYNAMICS
GENERALIZED GRADIENT APPROXIMATION
SURFACE CHEMICAL-PROPERTIES
PLANE-WAVE METHOD
WALL FLOW-TUBE
PHOTOELECTRON-SPECTROSCOPY
AB-INITIO
ATMOSPHERIC CHEMISTRY
POLYATOMIC-MOLECULES
ABSORPTION SPECTRA
Microscopic structure and dynamics of air/water interface by computer simulations-comparison with sum-frequency generation experiments
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2011, 卷号: 13, 期号: 12, 页码: 5388
Wang, YT
;
Hodas, NO
;
Jung, YS
;
Marcus, RA
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浏览/下载:16/0
  |  
提交时间:2013/09/18
LIQUID-VAPOR INTERFACE
MOLECULAR-DYNAMICS
VIBRATIONAL SPECTROSCOPY
WATER-SURFACE
THEORETICAL-ANALYSIS
AQUEOUS INTERFACES
HYDROGEN-BONDS
ORIENTATION
POTENTIALS
REACTIVITY
First principles study of lithium insertion in bulk silicon
期刊论文
JOURNAL OF PHYSICS-CONDENSED MATTER, 2010, 卷号: 22, 期号: 41
Wan, WH
;
Zhang, QF
;
Cui, Y
;
Wang, EG
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2013/09/17
INITIO MOLECULAR-DYNAMICS
AB-INITIO
ELECTRONIC-STRUCTURE
CRYSTALLINE SILICON
STRUCTURAL-CHANGES
FREE-ENERGY
DIFFUSION
NANOWIRES
ANODES
BATTERIES
Surface energy and surface proton order of the ice Ih basal and prism surfaces
期刊论文
JOURNAL OF PHYSICS-CONDENSED MATTER, 2010, 卷号: 22, 期号: 7
Pan, D
;
Liu, LM
;
Tribello, GA
;
Slater, B
;
Michaelides, A
;
Wang, EG
收藏
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浏览/下载:11/0
  |  
提交时间:2013/09/24
MOLECULAR-DYNAMICS SIMULATIONS
AB-INITIO
CRYSTAL-SURFACES
HEXAGONAL ICE
WATER
DENSITY
ADSORPTION
APPROXIMATION
DISSOCIATION
SCATTERING
Electron and Hole Dynamics in Dye-Sensitized Solar Cells: Influencing Factors and Systematic Trends
期刊论文
NANO LETTERS, 2010, 卷号: 10, 期号: 4, 页码: 1238
Meng, S
;
Kaxiras, E
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浏览/下载:7/0
  |  
提交时间:2013/09/17
DENSITY-FUNCTIONAL THEORY
FEMTOSECOND INFRARED-SPECTROSCOPY
TITANIUM-DIOXIDE FILMS
TRANSIENT ABSORPTION
ORGANIC SENSITIZERS
CHARGE SEPARATION
TIO2 NANOWIRE
AB-INITIO
INJECTION
SEMICONDUCTOR
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