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兰州理工大学 [17]
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期刊论文 [43]
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2021 [43]
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First-principles study on lattice structures and electronic properties of Li1/2La1/2TiO3/Li2S interface
期刊论文
SOLID STATE IONICS, 2021, 卷号: 373
作者:
Zhao, Qing-Shan
;
Xue, Hong-Tao
;
Tang, Fu-Ling
;
Wei, Cheng-Dong
收藏
  |  
浏览/下载:30/0
  |  
提交时间:2021/12/17
Li1/2La1/2TiO3/Li2S interface
First-principles calculations
Electronic structure
Electronic structure, optical dispersion and luminescence properties of terbium gallium garnet crystal
期刊论文
CRYSTENGCOMM, 2021
作者:
Zhang, Haotian
;
Gao, Yuxi
;
Huang, Changbao
;
Chen, Yingying
;
Dou, Renqin
收藏
  |  
浏览/下载:25/0
  |  
提交时间:2022/02/14
Tuning metal-insulator transition in delta-doped La:SrTiO3 superlattice by varying doping dimensionality and concentration
期刊论文
ACTA PHYSICA SINICA, 2021, 卷号: 70
作者:
Li Yun
;
Lu Wen-Jian
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  |  
浏览/下载:36/0
  |  
提交时间:2022/01/25
two dimensional doping
strong correlation effect
metal-insulator transition
Unraveling surface functionalization of Cr2B2T2 (T = OH, O, Cl, H) MBene by first-principles calculations
期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2021, 卷号: 199, 页码: 7
作者:
Hu, Tao
;
Wang, Mengting
;
Wang, Xiaohui
;
Zhou, Yanchun
;
Li, Changming
收藏
  |  
浏览/下载:39/0
  |  
提交时间:2021/11/22
Two-dimensional materials
Surface functionalization
Stability
MBene
First-principles calculations
Engineering and Microscopic Mechanism of Quantum Emitters Induced by Heavy Ions in hBN
期刊论文
ACS PHOTONICS, 2021, 卷号: 8, 期号: 10, 页码: 2912-2922
作者:
Gu, Rui
;
Wang, Lei
;
Zhu, Huiping
;
Han, Shuangping
;
Bai, Yurong
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  |  
浏览/下载:64/0
  |  
提交时间:2021/12/13
heavy ion irradiation
hBN
quantum emitters
PL mapping
production efficiency
point defects
Structural, electronic and magnetic properties of TlFeSe2 under high pressure
期刊论文
JOURNAL OF PHYSICS-CONDENSED MATTER, 2021, 卷号: 33
作者:
Zhang, Hanxing
;
Zhao, Jing
;
Niu, Caoping
;
Zou, Liangjian
;
Zeng, Zhi
收藏
  |  
浏览/下载:91/0
  |  
提交时间:2021/08/30
ternary metal selenide
first-principles calculation
high-pressure phases
spin crossover
negative charge transfer
metal-insulator transition
Many-core acceleration of the first-principles all-electron quantum perturbation calculations
期刊论文
COMPUTER PHYSICS COMMUNICATIONS, 2021, 卷号: 267, 页码: 8
作者:
Shang, Honghui
;
Duan, Xiaohui
;
Li, Fang
;
Zhang, Libo
;
Xu, Zhiqian
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  |  
浏览/下载:54/0
  |  
提交时间:2021/12/01
Density-functional perturbation theory
Many-core architecture
Linear scaling
MPI
Numeric atomic orbitals
Effects of vertical strain and electric field on the electronic properties and interface contact of graphene/InP vdW heterostructure
期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2021, 卷号: 198
作者:
Lu, Xuefeng
;
Li, Lingxia
;
Guo, Xin
;
Ren, Junqiang
;
Xue, Hongtao
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  |  
浏览/下载:9/0
  |  
提交时间:2021/10/14
Graphene
InP
Heterostructure
Vertical strain
Electric field
Schottky barrier
Domain-wall induced giant tunneling electroresistance effect in two-dimensional Graphene/In2Se3 ferroelectric tunnel junctions
期刊论文
PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES, 2021, 卷号: 133
作者:
Kang, Lili
;
Jiang, Peng
;
Zhang, Xiaoli
;
Hao, Hua
;
Zheng, Xiaohong
收藏
  |  
浏览/下载:38/0
  |  
提交时间:2021/08/31
Ferroelectric tunnel junctions
Tunneling electroresistance effect
Domain walls
Quantum transport
First principles
Electronic and optical properties of the SnO2/CsPbI3 interface: Using first principles calculations
期刊论文
CATALYSIS TODAY, 2021, 卷号: 374, 页码: 208-213
作者:
Hu, Wei
;
Si, Fengjuan
;
Xue, Hongtao
;
Tang, Fuling
;
Li, Wensheng
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2021/10/14
First principles calculations
SnO2 (110) /CsPbI3 interface
Electronic properties
Optical properties
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