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期刊论文 [170]
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Temperature-dependent mechanical properties and the microscopic deformation mechanism of bilayer gamma-graphdiyne under tension
期刊论文
NANOTECHNOLOGY, 2023, 卷号: 34, 期号: 1, 页码: 8
作者:
Song,Bo
;
Yang,Bolin
;
Zhang,Cun
;
Wang C(王超)
;
Chen,Shaohua
收藏
  |  
浏览/下载:92/0
  |  
提交时间:2022/11/14
bilayer-gamma-graphdiyne
mechanical properties
brittle-to-ductile transition
microscopic deformation mechanism
molecular dynamics
First-principles study on the design of metal-decorated N-doped γ-graphyne as a high capacity CH4adsorbent
期刊论文
Journal of Applied Physics, 2022, 卷号: 132, 期号: 6
作者:
Zhao, Qiuyu
;
Ju, Jiaming
;
Chen, Yuhong
;
Xu, Wenhui
;
Zhao, Yingjie
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2022/09/22
Adsorption
Atoms
Binding energy
Carbon nitride
Chemical bonds
Doping (additives)
Electric fields
Substrates
Titanium
Adsorption energies
Charged substrates
First-principle study
Graphyne
High capacity
Inter-molecular forces
N-doped
Negative charge
Negatively charged
Ti atoms
First-principles study on the methane adsorption properties by Ti-modified graphyne
期刊论文
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2021, 卷号: 121, 期号: 24
作者:
Xu, Wenhui
;
Chen, Yuhong
;
Zhao, Yingjie
;
Zhang, Meiling
;
Tian, Ranran
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  |  
浏览/下载:8/0
  |  
提交时间:2021/10/14
a first-principles
adsorption properties
graphyne
methane
Pore Structure of Graphdiyne: Design, Synthesis and Application
期刊论文
CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE, 2021, 卷号: 42, 期号: 2, 页码: 333-348
作者:
Zhan Shuhui
;
Zhao Yasong
;
Yang Nailiang
;
Wang Dan
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  |  
浏览/下载:12/0
  |  
提交时间:2021/08/31
Graphdiyne
Pore structure design
Three dimensional
Synthesis
Application
Temperature-dependent brittle-ductile transition of alpha-graphyne nanotubes under uniaxial tension
期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2021, 卷号: 187, 页码: 7
作者:
Zhang, Cun
;
Yang, Bolin
;
Wang C(王超)
;
Liu, Jinxi
;
Feng, Wenjie
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  |  
浏览/下载:87/0
  |  
提交时间:2021/03/03
alpha-Graphyne nanotube
Brittle-ductile transition
Mechanical property
Temperature
Atomic structure evolution
Study on the mechanism of water transport near the surface of pristine and nitrogen-doped β-graphyne
期刊论文
International Journal of Modern Physics B, 2021, 卷号: 35, 期号: 11, 页码: 2150152
作者:
Haifeng Nan
;
Xinghua Zhu
;
Ke Chu
;
Zhibin Lu
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  |  
浏览/下载:22/0
  |  
提交时间:2021/12/13
First-principles investigation on the bonding mechanisms of two-dimensional carbon materials on the transition metals surfaces
期刊论文
RSC ADVANCES, 2020, 卷号: 10, 期号: 71, 页码: 43412-43419
作者:
Zhang, Xin
;
Sun, Shenghui
;
Wang, Shaoqing
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  |  
浏览/下载:9/0
  |  
提交时间:2021/03/15
Electronic and optical properties of lithium-decorated delta-graphyne from first principles
期刊论文
OPTIK, 2020, 卷号: 216, 页码: 10
作者:
Qin, Xue-Fang
;
Shao, Zhi-Gang
;
Wang, Cang-long
;
Yang, Lei
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2021/12/15
delta-graphyne
First-principle
Li decorated
Electronic and optical properties
Highly spin polarized transport in gamma-zigzag graphyne nanoribbon junctions
期刊论文
PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES, 2020, 卷号: 120
作者:
Song, Lingling
;
Cao, Hongyuan
;
Chai, Xiyuan
;
Chen, Xiru
;
Ye, Zheng
收藏
  |  
浏览/下载:28/0
  |  
提交时间:2020/10/26
Spin polarized transport
gamma-zigzag graphyne nanoribbon junctions
BN co-doping
First principles calculation
Graphdiyne for significant thermal conductivity enhancement at ultralow mass fraction in polymer composites
期刊论文
2D MATERIALS, 2020, 卷号: 7, 期号: 3
作者:
Wang, Mengjie
;
Liao, Meizhen
;
Li, Linhong
;
Li, Maohua
;
Chen, Yapeng
收藏
  |  
浏览/下载:62/0
  |  
提交时间:2020/12/16
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