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上海大学 [45]
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期刊论文 [43]
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First principles calculation of redox potential for tetravalent actinides in molten LiCl-KCl eutectic based on vertical substitution and relaxation
期刊论文
ELECTROCHIMICA ACTA, 2019, 卷号: 293, 页码: 466-475
作者:
Zhang, Yu[1]
;
Song, Jia[2]
;
Li, Xuejiao[3]
;
Yan, Liuming[4]
;
Shi, Shuping[5]
收藏
  |  
浏览/下载:26/0
  |  
提交时间:2019/04/22
First principles molecular dynamics
Molten salt mixture
Actinides
Redox potential
Thermodynamic integration
Bimetal PdAu decorated SnO2 nanosheets based gas sensor with temperature-dependent dual selectivity for detecting formaldehyde and acetone
期刊论文
SENSORS AND ACTUATORS B-CHEMICAL, 2019, 卷号: 283, 页码: 590-601
作者:
Li, Gaojie[1]
;
Cheng, Zhixuan[2]
;
Xiang, Qun[3]
;
Yan, Liuming[4]
;
Wang, Xiaohong[5]
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2019/04/22
PdAu bimetal
Dual-selectivity
Acetone gas sensor
Formaldehyde gas sensor
Diabetes diagnosis
Static and dynamic structure of Pu3+ in molten LiCl-KCl eutectic revealed by first-principles molecular dynamics simulations
期刊论文
MOLECULAR SIMULATION, 2018, 卷号: 44, 页码: 1353-1361
作者:
Shi, Shuping[1]
;
Li, Xuejiao[2]
;
Song, Jia[3]
;
Yan, Liuming[4]
;
Jiang, Tao[5]
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2019/04/22
LiCl-KCl-PuCl3
first-principles molecular dynamics
transport properties
van Hove correlation function
pyroprocessing of spent nuclear fuels
Astonishing synergetic effect of proton conducting between phosphonic acid groups and triazolyl groups tethered simultaneously on poly(ether sulfone) backbone
期刊论文
SOLID STATE IONICS, 2018, 卷号: 320, 页码: 100-112
作者:
Zeng, Guangbo[1]
;
Yue, Baohua[2]
;
Li, Xuejiao[3]
;
Yan, Liuming[4]
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2019/04/22
Proton exchange membrane
Poly(ether sulfone)
Phosphonic acid
1H-1
2
3-triazolyl
Synergetic effect
Hydrogen bond
Pyroprocessing of spent nuclear fuels: Theoretical calculations and multiscale molecular simulations of solute behavior in molten salts
期刊论文
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2017, 卷号: 253
作者:
Li, Xuejiao[1]
;
Yan, Liuming[2]
;
Song, Jia[3]
;
Shi, Shuping[4]
;
Yue, Baohua[5]
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2019/04/24
Drifting proton transport by nanophase separation induced intrinsic electric field in polymer electrolyte material under anhydrous state
期刊论文
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2017, 卷号: 253, 页码: 238
作者:
Hu, Yidong[1]
;
Yan, Liuming[2]
;
Yue, Baohua[3]
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2019/04/24
Towards the calculations of redox potentials in molten LiCl-KCl eutectic by ensemble averages based on first principles molecular dynamics
期刊论文
ELECTROCHIMICA ACTA, 2017, 卷号: 248, 页码: 462-469
作者:
Song, Jia[1]
;
Li, Xuejiao[2]
;
Shi, Shuping[3]
;
Yan, Liuming[4]
;
Jiang, Tao[5]
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2019/04/24
Ensemble average
First principles molecular dynamics
Redox potential
Molten salt
Spent nuclear fuel
Self-diffusion coefficient
Ionic conductivity
Viscosity
On the First Principles Calculation of Redox Potential in Molten LiCl-KCl Eutectic Based on Adiabatic Substitution
期刊论文
JOURNAL OF THE ELECTROCHEMICAL SOCIETY, 2017, 卷号: 64, 页码: II846-II853
作者:
Song, Jia[1]
;
Li, Xuejiao[2]
;
Zhang, Yu[3]
;
Shi, Shuping[4]
;
Yan, Liuming[5]
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2019/04/24
Finite element analysis of the Poisson-Boltzmann equation coupled with chemical equilibriums: redistribution and transport of protons in nanophase separated polymeric acid-base proton exchange membranes
期刊论文
MOLECULAR SIMULATION, 2017, 卷号: 43, 页码: 1307-1314
作者:
Li, Xuejiao[1]
;
Yan, Liuming[2]
;
Yue, Baohua[3]
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/04/24
Poisson-Boltzmann equation
finite element analysis
nanophase separation
space charge distribution
acid-base composite proton exchange membrane
Imaging the Site-Specific Activity and Kinetics on a Single Nanomaterial by Microchamber Array
期刊论文
ACS CATALYSIS, 2017, 卷号: 7, 页码: 3607-3614
作者:
Du, Ying[1]
;
He, Xudong[2]
;
Zhan, Yulu[3]
;
Li, Shuping[4]
;
Shen, Yangbin[5]
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2019/04/24
single nanoparticle
PDMS microchamber
gold nanoplate
site-specific activity
catalytic kinetics
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