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Room temperature bilayer water structures on a rutile TiO2(110) surface: hydrophobic or hydrophilic?
期刊论文
CHEMICAL SCIENCE, 2022, 卷号: 13, 期号: 35, 页码: 10546-10554
作者:
Qu, Mengyang
;
Huang, Gang
;
Liu, Xinyi
;
Nie, Xuechuan
;
Qi, Chonghai
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2023/01/16
SUM-FREQUENCY GENERATION
MOLECULAR-DYNAMICS
INTERFACIAL WATER
TITANIUM-DIOXIDE
ELECTRON-TRANSFER
TIO2
SPECTROSCOPY
ADSORPTION
LAYER
PHOTOOXIDATION
The structuring effect of the alkyl domains on the polar network of ionic liquid mixtures: a molecular dynamics study
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2022, 卷号: 24, 期号: 31, 页码: 18783-18792
作者:
Mazzilli, Valerio
;
Wang, Yanting
;
Saielli, Giacomo
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  |  
浏览/下载:9/0
  |  
提交时间:2023/01/16
SPATIAL HETEROGENEITY
AGGREGATION
SIMULATIONS
CATIONS
Modeling and Mechanism of Enhanced Performance of In-Ga-Zn-O Thin-Film Transistors with Nanometer Thicknesses under Temperature Stress
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2020, 卷号: 124, 期号: 41, 页码: 22793-22798
作者:
Dai, Chaoqi
;
Qi, Guoqiang
;
Qiao, Hai
;
Wang, Weiliang
;
Xiao, Han
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  |  
浏览/下载:16/0
  |  
提交时间:2020/12/16
HYSTERESIS
EXTRACTION
Dynamic heterogeneity in aqueous ionic solutions
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2018, 卷号: 20, 期号: 33, 页码: 21313-21324
作者:
Ren, G
;
Chen, L
;
Wang, YT
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  |  
浏览/下载:32/0
  |  
提交时间:2018/12/27
ALKALI-HALIDE SOLUTIONS
STOKES-EINSTEIN RELATION
MOLECULAR-DYNAMICS
CONDUCTIVITY RELAXATION
DIELECTRIC-SPECTROSCOPY
HOMOGENEOUS NUCLEATION
ELECTROLYTE-SOLUTIONS
SUPERCOOLED WATER
LIGHT-SCATTERING
LENNARD-JONES
Aggregation behavior of dihexadecylviologen bistriflimide ionic liquid crystal in different solvents: influence of polarity and concentration
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2018, 卷号: 20, 期号: 35, 页码: 22730-22738
作者:
Li, S
;
Saielli, G
;
Wang, YT
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  |  
浏览/下载:40/0
  |  
提交时间:2018/12/27
ELECTROCHROMIC DEVICES
DIELECTRIC-CONSTANT
MOLECULAR-SOLVENTS
ORGANIC-MOLECULES
AQUEOUS-SOLUTIONS
DFT CALCULATIONS
FORCE-FIELD
VIOLOGEN
NMR
SIMULATIONS
Metastable State during Melting and Solid-Solid Phase Transition of [C&ITn&ITMim][NO3] (&ITn&IT=4-12) Ionic Liquids by Molecular Dynamics Simulation
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2018, 卷号: 122, 期号: 1, 页码: 229-239
作者:
Cao, WD
;
Wang, YT
;
Saielli, G
收藏
  |  
浏览/下载:35/0
  |  
提交时间:2018/12/27
HEXAFLUOROPHOSPHATE SALTS
CHAIN-LENGTH
FORCE-FIELD
CRYSTALS
BEHAVIOR
DIFFUSION
INSIGHTS
SYSTEMS
Metastable State during Melting and Solid-Solid Phase Transition of [C&ITn&ITMim][NO3] (&ITn&IT=4-12) Ionic Liquids by Molecular Dynamics Simulation
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2018, 卷号: 122, 期号: 1, 页码: 229-239
作者:
Wang, YT
;
Cao, WD
;
Saielli, G
收藏
  |  
浏览/下载:76/0
  |  
提交时间:2018/12/26
HEXAFLUOROPHOSPHATE SALTS
CHAIN-LENGTH
FORCE-FIELD
CRYSTALS
BEHAVIOR
DIFFUSION
INSIGHTS
SYSTEMS
Aggregation behavior of dihexadecylviologen bistriflimide ionic liquid crystal in different solvents: influence of polarity and concentration
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2018, 卷号: 20, 期号: 35, 页码: 22730-22738
作者:
Saielli, G
;
Li, S
;
Wang, YT
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2018/12/26
ELECTROCHROMIC DEVICES
DIELECTRIC-CONSTANT
MOLECULAR-SOLVENTS
ORGANIC-MOLECULES
AQUEOUS-SOLUTIONS
DFT CALCULATIONS
FORCE-FIELD
VIOLOGEN
NMR
SIMULATIONS
Dynamic heterogeneity in aqueous ionic solutions
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2018, 卷号: 20, 期号: 33, 页码: 21313-21324
作者:
Chen, L
;
Ren, G
;
Wang, YT
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2018/12/26
ALKALI-HALIDE SOLUTIONS
STOKES-EINSTEIN RELATION
MOLECULAR-DYNAMICS
CONDUCTIVITY RELAXATION
DIELECTRIC-SPECTROSCOPY
HOMOGENEOUS NUCLEATION
ELECTROLYTE-SOLUTIONS
SUPERCOOLED WATER
LIGHT-SCATTERING
LENNARD-JONES
Simulation procedures for glass transition temperatures and thermal expansion coefficients of BaO-B2O3 glasses
期刊论文
PHYSICS AND CHEMISTRY OF GLASSES-EUROPEAN JOURNAL OF GLASS SCIENCE AND TECHNOLOGY PART B, 2016, 卷号: 57, 期号: 2, 页码: 53-58
作者:
Peng, Lian
;
Zhu, Qingshan
;
Xie, Zhaohui
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2016/04/22
BARIUM BORATE GLASSES
BOROSILICATE GLASSES
PHYSICAL-PROPERTIES
SYSTEM
CAO-B2O3
RANGE
PHASE
BAO
NMR
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