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Prediction of chemical short-range order in high-/medium-entropy alloys
期刊论文
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2024, 卷号: 169, 页码: 115-123
作者:
Cao, Pei-Yu
;
Wang, Jing
;
Jiang, Ping
;
Wang, Yun-Jiang
;
Yuan, Fu-Ping
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2023/10/10
Short-range order
High-entropy alloy
Microstructure
First-principles calculation
Gibbs free energy
Local electronic density of states
Physical properties and radiation tolerance of high-entropy pyrochlores Gd-2(Ti0.25Zr0.25Sn0.25Hf0.25)(2)O-7 and individual pyrochlores Gd2X2O7 (X=Ti, Zr, Sn, Hf) from first principles calculations
期刊论文
SCRIPTA MATERIALIA, 2022, 卷号: 220, 页码: 114898
作者:
Liu, Chenguang
;
Peng Q(彭庆)
;
Shi, Tan
;
Gao, Fei
;
Li, Yuhong
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2022/10/23
First principles
High entropy pyrochlore
Radiation tolerance
Physical properties
Inducing and tuning Kondo screening in a narrow-electronic-band system
期刊论文
NATURE COMMUNICATIONS, 2022, 卷号: 13
作者:
Shen, Shiwei
;
Wen, Chenhaoping
;
Kong, Pengfei
;
Gao, Jingjing
;
Si, Jianguo
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2022/12/23
Investigations of Structural, Electronic and Magnetic Properties of MnSe under High Pressure
期刊论文
MATERIALS, 2022, 卷号: 15
作者:
Zhao, Jing
;
Zhang, Hanxing
;
Niu, Caoping
;
Wang, Xianlong
收藏
  |  
浏览/下载:59/0
  |  
提交时间:2022/03/21
high pressure
first-principles method
phase transition
spin crossover
MnSe
Interstitial doping of K and Mn induced structural distortion and electronic properties changes in all-inorganic CsPbI2Br perovskite
期刊论文
Materials Research Express, 2022, 卷号: 9, 期号: 4
作者:
Xue, Hong-Tao
;
Hu, Zhong-Lin
;
Luo, Ya-Qiao
;
An, Jun-Peng
;
Tang, Fu-Ling
收藏
  |  
浏览/下载:26/0
  |  
提交时间:2022/06/20
Binary alloys
Bromine compounds
Calculations
Electronic properties
Lead compounds
Manganese
Photovoltaic effects
Structural properties
CsPbI2br perovskite
First principle calculations
Inorganics
Interstitial doping
Interstitials
K-doping
Mn-doping
Octahedral interstices
Property changes
Structural distortions
First-Principles Study of Electronic Properties of SnO2/CsPbI2Br Interface
期刊论文
JOURNAL OF ELECTRONIC MATERIALS, 2021, 卷号: 50, 期号: 4, 页码: -
作者:
Hu, Wei
;
An, Junpeng
;
Si, Fengjuan
;
Xue, Hongtao
;
Tang, Fuling
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  |  
浏览/下载:7/0
  |  
提交时间:2021/03/12
Binding energy
Bromine compounds
Calculations
Chemical bonds
Density functional theory
Electronic properties
Lattice mismatch
Lattice theory
Lead compounds
Perovskite
Perovskite solar cells
Semiconductor quantum wells
Doping modification
First-principles calculation
First-principles study
Heterogeneous interfaces
Interface control
Interface orientation
Microscopic properties
Theoretical research
Pseudogap and Weak Multifractality in 2D Disordered Mott Charge-Density-Wave Insulator
期刊论文
NANO LETTERS, 2020, 卷号: 20
作者:
Gao, Jianhua
;
Park, Jae Whan
;
Kim, Kiseok
;
Song, Sun Kyu
;
Park, Hae Ryong
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2020/11/30
charge density wave
Mott insulator
transition metal dichalcogenide
pseudogap
multifractality
disorder
Influence of External Interface Normal Stress on the Growth of Cu-Sn IMC During Aging
期刊论文
ACTA METALLURGICA SINICA-ENGLISH LETTERS, 2020, 卷号: 33, 期号: 10, 页码: 9
作者:
Wang, Changchang
;
Chen, Yinbo
;
Liu, Zhi-Quan
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2021/02/02
Cu-Sn IMC
Growth behavior
External stress effect
Isothermal aging
Interface configuration effects on excitation, exciton dissociation, and charge recombination in organic photovoltaic heterojunction
期刊论文
International Journal of Quantum Chemistry, 2020, 卷号: 120, 期号: 4
作者:
Bai, Rui-Rong
;
Zhang, Cai-Rong
;
Wu, You-Zhi
;
Yuan, Li-Hua
;
Zhang, Mei-Ling
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2020/11/14
Charge transfer
Density functional theory
Dissociation
Electronic structure
Excited states
Excitons
Heterojunctions
Morphology
Photovoltaic effects
Rate constants
Charge recombinations
Donor-acceptor complex
Donor-acceptor heterojunctions
Excitation properties
Heterojunction interfaces
Interface configuration
Molecular configurations
Organic heterojunctions
Uniaxial Strain-Controlled Ground States in Manganite Films
期刊论文
NANO LETTERS, 2020, 卷号: 20
作者:
Jin, Feng
;
Gu, Mingqiang
;
Ma, Chao
;
Guo, Er-Jia
;
Zhu, Jin
收藏
  |  
浏览/下载:25/0
  |  
提交时间:2020/11/26
uniaxial strain engineering
manganite thin films
phase separation
scanning transmission electron microscopy
density functional theory calculations
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