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金属研究所 [95]
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期刊论文 [94]
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Antiferromagnetic Kitaev interaction inJ (eff)=1/2 cobalt honeycomb materials Na3Co2SbO6 and Na2Co2TeO6
期刊论文
JOURNAL OF PHYSICS-CONDENSED MATTER, 2022, 卷号: 34, 期号: 4, 页码: 11
作者:
Kim, Chaebin
;
Jeong, Jaehong
;
Lin, Gaoting
;
Park, Pyeongjae
;
Masuda, Takatsugu
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2021/12/09
Kitaev model
magnetism
spin-orbit entanglement
quantum spin liquid
Antiferromagnetic Kitaev interaction inJ eff = 1/2 cobalt honeycomb materials Na3Co2SbO6 and Na2Co2TeO6
期刊论文
Journal of Physics: Condensed Matter, 2021, 卷号: 34, 期号: 4
作者:
Kim,Chaebin
收藏
  |  
浏览/下载:22/0
  |  
提交时间:2022/01/27
Kitaev model
magnetism
spin–orbit entanglement
quantum spin liquid
Revealing the role of nitrogen dopants in tuning the electronic and optical properties of graphene quantum dots via a TD-DFT study
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2020, 卷号: 22, 期号: 48, 页码: 28230-28237
作者:
Yang, Min
;
Lian, Zan
;
Si, Chaowei
;
Li, Bo
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2021/03/15
Revealing the role of nitrogen dopants in tuning the electronic and optical properties of graphene quantum dots via a TD-DFT study.
期刊论文
Physical chemistry chemical physics : PCCP, 2020, 卷号: 22, 期号: 48, 页码: 28230-28237
作者:
Yang, Min
;
Lian, Zan
;
Si, Chaowei
;
Li, Bo
收藏
  |  
浏览/下载:46/0
  |  
提交时间:2021/02/03
First-Principles Study on Free Energy and Elastic Properties of Disordered beta-Ti1-xNbx Alloy: Comparison Between SQS and CPA
期刊论文
ACTA METALLURGICA SINICA, 2020, 卷号: 56, 期号: 9, 页码: 1304-1312
作者:
Zhang Haijun
;
Qiu Shi
;
Sun Zhimei
;
Hu Qingmiao
;
Yang Rui
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2021/02/02
titanium alloy
random solid solution
special quasirandom structure
coherent potential approximation
elastic constant
first-principles calculation
Strain effect on the catalytic activities of B- and B/N-doped black phosphorene for electrochemical conversion of CO to valuable chemicals
期刊论文
JOURNAL OF MATERIALS CHEMISTRY A, 2020, 卷号: 8, 期号: 24, 页码: 11986-11995
作者:
Chen, Zhe
;
Liu, Xin
;
Zhao, Jingxiang
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2021/02/02
Strain effect on the catalytic activities of B- and B/N-doped black phosphorene for electrochemical conversion of CO to valuable chemicals
期刊论文
JOURNAL OF MATERIALS CHEMISTRY A, 2020, 卷号: 8, 期号: 24, 页码: 11986-11995
作者:
Chen, Zhe
;
Liu, Xin
;
Zhao, Jingxiang
;
Jiao, Yan
;
Yin, Lichang
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2021/02/02
Effect of alloying elements on lattice misfit and elasticities of Ni-based single crystal superalloys by first-principle calculations
期刊论文
SOLID STATE COMMUNICATIONS, 2020, 卷号: 310, 页码: 8
作者:
Jiang, Fushi
;
Yu, Hui
;
Hu, Qingmiao
;
Wei, Hua
;
Sun, Xiaofeng
收藏
  |  
浏览/下载:20/0
  |  
提交时间:2021/02/02
Ni-based single crystal superalloys
Site occupancy
Lattice misfit
Elasticities
First-principles investigation of the microscopic mechanism of the physical and chemical mixed adsorption of graphene on metal surfaces
期刊论文
RSC ADVANCES, 2019, 卷号: 9, 期号: 56, 页码: 32712-32720
作者:
Zhang, Xin
;
Wang, Shaoqing
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2021/02/02
Systematic analysis of the fine structure of energy levels and spin-Hamiltonian parameters of V3+ ion in corundum with dynamic Jahn-Teller effect
期刊论文
JOURNAL OF LUMINESCENCE, 2019, 卷号: 208, 页码: 273-278
作者:
Fang, Wang
;
Chen, Heng-Jie
;
Ma, Chong-Geng
;
Zheng, Wen-Chen
;
Yang, Da-Xiao
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2021/02/02
Optical spectrum
Electron paramagnetic resonance
Complete diagonalization method
Dynamic Jahn-Teller effect
V3+ ion
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