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科研机构
兰州理工大学 [6]
内容类型
期刊论文 [6]
发表日期
2022 [3]
2021 [3]
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Insight into electronic structure and photocatalytic character of GaSe/MoS2 heterostructure by first-principles investigation
期刊论文
Solid State Communications, 2022, 卷号: 353
作者:
Lu, Xuefeng
;
Cui, Tingshu
;
Ren, Junqiang
;
Guo, Xin
;
Xue, Hongtao
收藏
  |  
浏览/下载:36/0
  |  
提交时间:2022/08/09
Binding energy
Calculations
Energy gap
Gallium compounds
Hydrogen production
Lattice mismatch
Layered semiconductors
Light
Light absorption
Molybdenum compounds
Photocatalytic activity
Redox reactions
Selenium compounds
Semiconductor quantum wells
Electronic.structure
First principle calculations
First principles
First-principles investigations
Gase/MoS2
Photo-catalytic
Photocatalytic character
Photocatalytic property
Structure property
Two-dimensional
First-principles Study of Doped (Silicon, Germanium, Tin) Single-wall Carbon Nanotubes
期刊论文
Cailiao Daobao/Materials Reports, 2022, 卷号: 36, 期号: 9
作者:
Lu, Xuefeng
;
Wang, Kuan
;
Cui, Zhihong
收藏
  |  
浏览/下载:31/0
  |  
提交时间:2022/06/20
Absorption spectroscopy
Atoms
Calculations
Semiconductor doping
Single-walled carbon nanotubes (SWCN)
Solar cells
Doped silicon
Doped systems
Electronic.structure
First principles
First-principle study
Germanium tins
Silicon germaniums (SiGe)
Single Wall
Single-wall carbon nanotube
Sn-doped
On the Investigation of Effective Factors on Electronic Structure Properties of Transition Metal Complexes: Robust Modeling Using GPR Approach
期刊论文
International Journal of Chemical Engineering, 2022, 卷号: 2022
作者:
Wang, Jianjun
;
Molla Jafari, Mohammad Mahdi
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2022/04/21
Chemical bonds
Computation theory
Density functional theory
Electronic structure
Inorganic compounds
Spin dynamics
Transition metal compounds
Transition metals
Density functional theory simulations
Electronic.structure
Gaussian process regression
High-throughput
Inorganics
Kernel function
Robust modeling
Spin state
Structure property
Transition-metal complex
Structurecomposition-property correlations of symmetrical tilt grain boundaries in copper-based binary alloys
期刊论文
Journal of Physics and Chemistry of Solids, 2021, 卷号: 154
作者:
Xue, Hongtao
;
Lei, Chao
;
Tang, Fuling
;
Li, Xiuyan
;
Luo, Yaqiao
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2021/06/03
Alloying
Alloying elements
Binary alloys
Calculations
Chemical bonds
Copper alloys
Electronic structure
Fracture toughness
Nanocrystals
Segregation (metallography)
Separation
Structural properties
Thermodynamic stability
Ab initio calculations
Cr segregation
Electronic.structure
Grain-boundaries
Grain-boundary energy
Mechanical
Property
Thermodynamics property
Tilt grain boundary
Work of separation
Electronic structure and optical properties of spinel structure Zn1-xNixAl2O4 nanopowders synthesized by sol–gel method
期刊论文
Chemical Physics Letters, 2021, 卷号: 772
作者:
Lu, Qiang
;
Wei, Zhiqiang
;
Wu, Xiaojuan
;
Huang, Shangpan
;
Ding, Meijie
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2021/06/03
Aluminum compounds
Calculations
Electronic structure
Ions
Nickel
Sols
Synthesis (chemical)
Zinc compounds
Electronic structure and optical properties
Electronic.structure
First principle calculations
Nano powders
Ni ions
Ni-doped
Optical-
Property
Spinel structure
Synthesised
Optoelectronic properties of Rb-doped inorganic double perovskite Cs2AgBiBr6
期刊论文
Chemical Physics Letters, 2021, 卷号: 771
作者:
Chen, Hong
;
Zhang, Cai-Rong
;
Liu, Zi-Jiang
;
Gong, Ji-Jun
;
Zhang, Mei-Ling
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2021/04/12
Bismuth compounds
Bromine compounds
Cesium compounds
Density functional theory
Doping (additives)
Electronic structure
Energy gap
Perovskite
Rubidium compounds
Silver
Silver compounds
Ag$++$
Cs$++$
Density-functional-theory
Double perovskites
Electronic.structure
Inorganics
Optical-
Optoelectronics property
Property
Supercell model
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