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科研机构
江苏大学 [28]
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期刊论文 [28]
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2019 [2]
2018 [14]
2017 [2]
2016 [3]
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2014 [1]
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专题:江苏大学
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Improved Transport Properties and Novel Li Diffusion Dynamics in van der Waals C2N/Graphene Heterostructure as Anode Materials for Lithium-Ion Batteries: A First-Principles Investigation
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2019, 卷号: 123, 期号: 6, 页码: 3353-3367
作者:
Ding, Yingchun[1]
;
Xiao, Bing[2]
;
Li, Jiling[3]
;
Deng, Qijiu[4]
;
Xu, Yunhua[5]
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2019/12/24
First-principles calculations and experiments for Ce4+ effects on structure and chemical stabilities of Zr1-xCexSiO4
期刊论文
JOURNAL OF NUCLEAR MATERIALS, 2019, 卷号: 514, 页码: 276-283
作者:
Li, Shuyang[1]
;
Yang, Xiaoyong[2]
;
Liu, Jian[3]
;
Zhao, Xiaofeng[4]
;
Hussain, Shahid[5]
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/24
Zircon (ZrSiO4)
Ce impurity
First principle calculations
Structural stability
Chemical stability
Direct Determination of Atomic Structure and Magnetic Coupling of Magnetite Twin Boundaries
期刊论文
ACS NANO, 2018, 卷号: 12, 期号: 3, 页码: 2662-2668
作者:
Chen, Chunlin[1]
;
Li, Hongping[2]
;
Seki, Takehito[3]
;
Yin, Deolian[4]
;
Sanchez-Santolino, Gabriel[5]
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2019/12/24
transmission electron microscopy
grain boundary
magnetic coupling
first-principles calculations
differential phase contrast
Structures and energetics of point defects with charge states in zircon: A first-principles study
期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2018, 卷号: 759, 页码: 60-69
作者:
Yang, Xiao-Yong[1]
;
Wang, Shuao[2]
;
Lu, Yong[3]
;
Bi, Peng[4]
;
Zhang, Ping[5]
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2019/12/24
First-principles calculations
Zircon
Charge states of point defects
Investigation on electronic and magnetic properties of Co and Mn in ZnO with different doping types
期刊论文
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 2018, 卷号: 461, 页码: 1-5
作者:
Liu, Zhixiang[1]
;
Yuan, Xiaoming[2]
;
Yang, Ping[3]
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2019/12/24
Magnetic moment
Curie temperature
First-principles calculations
Ferromagnetic materials
Monolayer Cu2Si as a potential gas sensor for NOx and COx (x=1, 2): A first-principles study
期刊论文
SURFACE SCIENCE, 2018, 卷号: 668, 页码: 42-46
作者:
Zhu, Hao-Hao[1]
;
Ye, Xiao-Juan[2]
;
Liu, Chun-Sheng[3]
;
Yan, Xiao-Hong[4]
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2019/12/24
Cu2Si monolayer
First-principles calculations
Gas sensor
First-principles investigation on stability and diffusion mechanism of helium impurities in 4H-SiC
期刊论文
JOURNAL OF NUCLEAR MATERIALS, 2018, 卷号: 499, 页码: 168-174
作者:
Yang, Xiao-Yong[1]
;
Lu, Yong[2]
;
Hussain, Shahid[3]
;
Duan, Tao[4]
;
Zhang, Ping[5]
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  |  
浏览/下载:7/0
  |  
提交时间:2019/12/24
Electronic, magnetic and transport properties of transition metal-doped holely C2N-h2D nanoribbons
期刊论文
PHYSICA B-CONDENSED MATTER, 2018, 卷号: 528, 页码: 1-8
作者:
He, Jing-Jing[1]
;
Guo, Yan-Dong[2]
;
Yan, Xiao-Hong[3]
;
Zeng, Hong-Li[4]
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2019/12/24
C2N-h2D nanoribbon
Transition metal doping
Electronic properties
First-principles
First-principles study on influence of molybdenum on acicular ferrite formation on TiC particles in microallyed steels
期刊论文
SOLID STATE COMMUNICATIONS, 2018, 卷号: 269, 页码: 102-107
作者:
Hua, Guomin[1]
;
Li, Changsheng[2]
;
Cheng, Xiaonong[3]
;
Zhao, Xinluo[4]
;
Feng, Quan[5]
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2019/12/24
Interfacial energy
Segregation
Diffusion
Phase transformation
Hydrogen adsorption mechanism on single-layer MoSe2 for hydrogen evolution reaction: First-principles study
期刊论文
ACTA PHYSICA SINICA, 2018, 卷号: 67, 期号: 21
作者:
Xu Zi-Wei[1]
;
Shi Chang-Shuai[2]
;
Zhao Guang-Hui[3]
;
Wang Ming-Yuan[4]
;
Liu Gui-Wu[5]
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2019/12/24
monolayer 2H-phase MoSe2
hydrogen evolution reaction
hydrogen adsorption
molecular dynamics simulation
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