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First-Principles Calculations of Electronic Structure and Optical Properties of Si-Doped and Vacancy beta-Ga2O3
期刊论文
CRYSTAL RESEARCH AND TECHNOLOGY, 2021, 卷号: 57, 期号: 1
作者:
Liu, Jifei
;
Gao, Shanshan
;
Li, Weixue
;
Dai, Jianfeng
;
Suo, Zhongqiang
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2021/12/17
beta-Ga2O3
effective mass
electronic structure
generalized gradient approximation
Hubbard term
optical properties
Influence of transition metals (Sc, Ti, V, Cr, and Mn) doping on magnetism of CdS
期刊论文
Chinese Physics B, 2020, 卷号: 29, 期号: 11
作者:
Suo, Zhongqiang
;
Dai, Jianfeng
;
Gao, Shanshan
;
Gao, Haoran
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2020/12/18
Cadmium sulfide
Charge transfer
Chromium compounds
Ferromagnetic materials
Ferromagnetism
Functional materials
II-VI semiconductors
Magnetic moments
Magnetic semiconductors
Manganese compounds
Semiconductor doping
Spin fluctuations
Transition metals
Zinc sulfideAntiferromagnetics
Conduction-band minimum
Dilute magnetic semiconductors
Direct-charge transfers
Double exchange interactions
Ferromagnetic systems
Generalized gradient approximations
Wurtzite structure
On the Law of Large Numbers for the Empirical Measure Process of Generalized Dyson Brownian Motion
期刊论文
JOURNAL OF STATISTICAL PHYSICS, 2020, 页码: 29
作者:
Li, Songzi
;
Li, Xiang-Dong
;
Xie, Yong-Xiao
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2021/01/14
Generalized Dyson Brownian motion
McKean-Vlasov equation
Gradient flow
Optimal transportation
Voiculescu free entropy
Law of Large Numbers
Propagation of chaos
Hydrogen storage capacity of alkali metal atoms decorated porous graphene
期刊论文
Wuli Xuebao/Acta Physica Sinica, 2020, 卷号: 69, 期号: 6
作者:
Yuan, Li-Hua
;
Gong, Ji-Jun
;
Wang, Dao-Bin
;
Zhang, Cai-Rong
;
Zhang, Mei-Ling
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  |  
浏览/下载:6/0
  |  
提交时间:2020/11/14
Adatoms
Atoms
Desorption
Flow of solids
Gas adsorption
Graphene
Lithium
Molecular dynamics
Molecules
Nanopores
System stability
Temperature
Van der Waals forces
Ab initio molecular dynamics
Ab initio molecular dynamics simulation
Charge density difference
First principles method
Generalized gradient approximations
Hydrogen adsorption capacity
Hydrogen storage capacities
Van Der Waals interactions
Vibration characteristics of FGM beams under the action of initial axial load based on a n-th generalized shear beam theory
期刊论文
Zhendong yu Chongji/Journal of Vibration and Shock, 2020, 卷号: 39, 期号: 2, 页码: 100-106
作者:
Pu, Yu
;
Zhou, Fengxi
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2022/02/17
Axial loads
Boundary conditions
Functionally graded materials
Natural frequencies
Numerical methods
Shear deformation
Beams on elastic foundation
Functional gradient material
Functionally graded material (FGM)
Generalized differential quadrature
Initial axial loads
Length-to-thickness ratio
Shear beams
Static and dynamic response
Vibration characteristics of FGM beams under the action of initial axial load based on a n-th generalized shear beam theory
期刊论文
Zhendong yu Chongji/Journal of Vibration and Shock, 2020, 卷号: 39, 期号: 2, 页码: 100-106
作者:
Pu, Yu
;
Zhou, Fengxi
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2020/11/14
Axial loads
Boundary conditions
Functionally graded materials
Natural frequencies
Numerical methods
Shear deformation
Beams on elastic foundation
Functional gradient material
Functionally graded material (FGM)
Generalized differential quadrature
Initial axial loads
Length-to-thickness ratio
Shear beams
Static and dynamic response
Friction and Wear Behavior of CrN Coating on 316L Stainless Steel in Liquid Sodium at Elevated Temperature
期刊论文
TRIBOLOGY INTERNATIONAL, 2020, 卷号: 143
作者:
Chen, Yanjun
;
Wang, Shunhua
;
Ha, Yu
;
Pu, Jibin
;
Jiang, Xin
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2020/12/16
GENERALIZED GRADIENT APPROXIMATION
SLIDING WEAR
OXIDATION RESISTANCE
UNLUBRICATED WEAR
DRY
MICROSTRUCTURE
AIR
FILMS
Stable zigzag edges of transition-metal dichalcogenides with high catalytic activity for oxygen reduction
期刊论文
ELECTROCHIMICA ACTA, 2020, 卷号: 338
作者:
Hao, Yu
;
Xu, Li-Chun
;
Pu, Jibin
;
Wang, Liping
;
Huang, Liang-Feng
收藏
  |  
浏览/下载:54/0
  |  
提交时间:2020/12/16
GENERALIZED GRADIENT APPROXIMATION
PLANE-WAVE
AB-INITIO
HYDROGEN-EVOLUTION
MOS2
PERFORMANCE
DENSITY
CARBON
SITES
ELECTROCHEMISTRY
Electrocatalytic reduction of CO2 to ethylene and ethanol through hydrogen-assisted C-C coupling over fluorine-modified copper
期刊论文
NATURE CATALYSIS, 2020, 卷号: 3, 期号: 6, 页码: 478-487
作者:
Ma, WC
;
Xie, SJ
;
Liu, TT
;
Fan, QY
;
Ye, JY
收藏
  |  
浏览/下载:32/0
  |  
提交时间:2021/09/06
GENERALIZED GRADIENT APPROXIMATION
CARBON-DIOXIDE
ELECTROCHEMICAL REDUCTION
CATALYTIC-HYDROGENATION
ENERGY CALCULATIONS
ELECTROLYTE DESIGN
OXIDATION-STATE
ELECTROREDUCTION
VALORIZATION
SELECTIVITY
Probing the Hydrogen Bonding in Microsolvated Clusters of Au-1,2(-)(Solv)(n) (Solv = C2H5OH, n-C3H7OH; n=1-3 for Au-; n=1 for Au-2(-))
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2020, 卷号: 124, 期号: 27, 页码: 5590-5598
作者:
Wang, YT
;
Han, CC
;
Fei, ZJ
;
Dong, CW
;
Liu, HT
收藏
  |  
浏览/下载:46/0
  |  
提交时间:2021/09/06
QUADRATIC CONFIGURATION-INTERACTION
GENERALIZED GRADIENT APPROXIMATION
VAPOR-PHASE HYDROCHLORINATION
CATALYTIC-ACTIVITY
CO OXIDATION
PHOTOELECTRON-SPECTROSCOPY
DENSITY FUNCTIONALS
AEROBIC OXIDATION
CARBON-DIOXIDE
BASIS-SETS
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