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科研机构
合肥物质科学研究院 [31]
内容类型
期刊论文 [31]
发表日期
2022 [8]
2021 [3]
2020 [4]
2018 [5]
2017 [6]
2016 [1]
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An emb e dde d-atom method potential for studying the properties of Fe-Pb solid-liquid interface
期刊论文
JOURNAL OF NUCLEAR MATERIALS, 2022, 卷号: 572
作者:
Lei, Yawei
;
Zhang, Jingdan
;
Zhang, Yange
;
Li, Xiangyan
;
Xu, Yichun
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2022/12/23
Fe-Pb system
Force -matching method
EAM potential
Corrosion
Liquid properties
Radiation damage accumulation mechanisms at iron grain boundaries revealed by coupled atomic and coarse-grained simulations via the parameter-passing and structural feedback
期刊论文
JOURNAL OF NUCLEAR MATERIALS, 2022, 卷号: 572
作者:
Li, Xiangyan
;
Li, Xiaolin
;
Zhang, Yange
;
Xu, Yichun
;
Wu, Xuebang
收藏
  |  
浏览/下载:22/0
  |  
提交时间:2022/12/23
Grain boundary
Multiscale simulation
Structural relaxation
Defects clusters
Synergistic defect engineering for improving n-type NbFeSb thermoelectric performance through high-throughput computations
期刊论文
JOURNAL OF MATERIALS CHEMISTRY A, 2022, 卷号: 10
作者:
Li, Jingyu
;
Zhu, Jianbo
;
Ti, Zhuoyang
;
Zhai, Wenya
;
Wei, Liuming
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2022/12/23
Leveraging doping and defect engineering to modulate exciton dissociation in graphitic carbon nitride for photocatalytic elimination of marine oil spill
期刊论文
CHEMICAL ENGINEERING JOURNAL, 2022, 卷号: 439
作者:
Xia, Linhong
;
Sun, Zhaoli
;
Wu, Yuning
;
Yu, Xue-Fang
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2022/12/23
Point-Defect Engineering
Graphitic carbon nitride
Oil spill
Dopants
Carbon vacancy
Strain effects on the behavior of intrinsic point defects within the GaN/AlN interface
期刊论文
INTERNATIONAL JOURNAL OF MODERN PHYSICS C, 2022
作者:
Yang, Yuming
;
Zhang, Xuemei
;
Liu, Jun
;
Zhang, Chuanguo
;
Li, Yonggang
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2022/12/23
GaN
AlN interface
strain effects
intrinsic point defects
first-principles calculations
diffusion barrier
Atomic Simulations of the Interaction between a Dislocation Loop and Vacancy-Type Defects in Tungsten
期刊论文
METALS, 2022, 卷号: 12
作者:
Li, Linyu
;
Wang, Hao
;
Xu, Ke
;
Li, Bingchen
;
Jin, Shuo
收藏
  |  
浏览/下载:26/0
  |  
提交时间:2022/05/05
atomic simulations
dislocation loop
vacancy defect
tungsten
Prediction of vacancy formation energies at tungsten grain boundaries from local structure via machine learning method
期刊论文
JOURNAL OF NUCLEAR MATERIALS, 2022, 卷号: 559
作者:
Wang, Yuxuan
;
Li, Xiaolin
;
Li, Xiangyan
;
Zhang, Yuxiang
;
Zhang, Yange
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2022/12/23
Vacancy formation energy
Machine learning
Tungsten
Symmetry tilt grain boundary
Support vector machine
Cross validation
Sample spinning to mitigate polarization artifact and interstitial-vacancy imbalance in ion-beam irradiation
期刊论文
NPJ COMPUTATIONAL MATERIALS, 2022, 卷号: 6
作者:
Ren Cuilan
;
Yang Yang
;
Li Yonggang
;
Huai Ping
;
Zhu Zhiyuan
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浏览/下载:0/0
  |  
提交时间:2023/11/10
Introduction of 4-hydroxybenzaldehyde as interface modifier with multidimensional defects passivation effect for high-performance perovskite solar cells
期刊论文
APPLIED SURFACE SCIENCE, 2021, 卷号: 570
作者:
Wu, Weiwei
;
Xu, Huifen
;
Liu, Guozhen
;
Zheng, Haiying
;
Pan, Xu
收藏
  |  
浏览/下载:52/0
  |  
提交时间:2022/01/10
Perovskite solar cells
Interface modification
4-hydroxybenzaldehyde
Defect passivation
Stability
First principles investigation of intrinsic and Na defects in XTe (X=Ca, Sr, Ba) nanostructured PbTe
期刊论文
MATERIALS TODAY PHYSICS, 2021, 卷号: 19
作者:
Zhang, Xuemei
;
Toriyama, Michael Y.
;
Male, James P.
;
Feng, Zhenzhen
;
Guo, Shuping
收藏
  |  
浏览/下载:27/0
  |  
提交时间:2021/08/30
Thermoelectric
Point defect
Solid solution
Pseudo-interface
PbTe compounds
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