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科研机构
上海大学 [21]
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期刊论文 [21]
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2019 [2]
2018 [1]
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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:24/0
  |  
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:16/0
  |  
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:5/0
  |  
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
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
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
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
Dynamic Fluctuation of U3+ Coordination Structure in the Molten LiCl-KCl Eutectic via First Principles Molecular Dynamics Simulations
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2017, 卷号: 121, 页码: 571-578
作者:
Li, Xuejiao[1]
;
Song, Jia[2]
;
Shi, Shuping[3]
;
Yan, Liuming[4]
;
Zhang, Zhaochun[5]
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2019/04/24
Improved performance of acid-base composite of phosphonic acid functionalized polysulfone and triazolyl functionalized polysulfone for PEM fuel cells
期刊论文
SOLID STATE IONICS, 2017, 卷号: 300, 页码: 10-17
作者:
Yue, Baohua[1]
;
Zeng, Guangbo[2]
;
Zhang, Yepei[3]
;
Tao, Sheng[4]
;
Zhang, Xiaoming[5]
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2019/04/24
Synergetic proton conducting effect
Polysulfone
Phosphonic acid
Triazolyl
Acid-base composite
Improving the comprehensive performances of phosphonic acid functionalized poly(ether sulfone) by compositing with 1H-1,2,3-triazol-4-yl functionalized poly(ether sulfone)
期刊论文
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2016, 卷号: 41, 页码: 4740-4750
作者:
Zhang, Xiaoming[1]
;
Yue, Baohua[2]
;
Yan, Liuming[3]
;
Zeng, Guangbo[4]
;
Tao, Sheng[5]
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/04/26
Proton exchange membrane
Poly(ether sulfone)
Phosphonic acid
1H-1
2
3-triazolyl group
Acid-base polymeric composite
Synergetic effect
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