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期刊论文 [54]
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Effect of Strain Rate, Temperature, Vacancy, and Microcracks on Mechanical Properties of 8-16-4 Graphyne
期刊论文
NANOMATERIALS, 2024, 卷号: 14, 期号: 6, 页码: 15
作者:
Peng, Qing
;
Huang, Zeyu
;
Chen, Gen
;
Zhang, Yuqiang
;
Zhang, Xiaofan
收藏
  |  
浏览/下载:45/0
  |  
提交时间:2024/05/14
8-16-4 graphyne
mechanical properties
molecular dynamics
vacancy defect
microcrack
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:22/0
  |  
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:12/0
  |  
提交时间:2021/10/14
a first-principles
adsorption properties
graphyne
methane
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:88/0
  |  
提交时间:2021/03/03
alpha-Graphyne nanotube
Brittle-ductile transition
Mechanical property
Temperature
Atomic structure evolution
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
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  |  
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
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  |  
浏览/下载:71/0
  |  
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
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  |  
浏览/下载:64/0
  |  
提交时间:2020/12/16
BORON-NITRIDE NANOSHEETS
ELECTRONIC-STRUCTURE
CARBON NANOTUBES
POLYIMIDE FILMS
NANOCOMPOSITES
HYBRID
EPOXY
FUNCTIONALIZATION
GRAPHYNE
NETWORK
Atomic uranium modified graphdiyne as catalytic material for hydrogen evolution reaction: An interfacial descriptor led mechanistic study
期刊论文
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2020, 卷号: 45, 期号: 46, 页码: 24604-24614
作者:
Bacha, RUS
;
Cai, HX
;
Wang, JQ
;
Pan, QJ
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2021/09/06
METAL-SUPPORT INTERACTIONS
DOPED CARBON HYBRIDS
GRAPHENE
EFFICIENT
GRAPHYNE
OXYGEN
OXIDE
OXIDATION
H-2
PREDICTIONS
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