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Partition model for trace elements between liquid metal and silicate melts involving the interfacial transition structure: An exploratory two-phase first-principles molecular dynamics study
期刊论文
OAI收割
JOURNAL OF MOLECULAR LIQUIDS, 2022, 卷号: 364, 页码: 14
作者:
Sun, Yiwei
;
Qian, Guoyu
;
Pang, Sheng
;
Lu, Jijun
;
Guo, Jianwei
  |  
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2023/02/24
Partition model of trace elements
Two-phase first-principles molecular 
dynamics
Local coordination structure
Interfacial transition structure
Silicon slag refining
Preparation and properties of Sr(CrMnFeCoNi)(3)O-4 and Sr (MgAlTiCrFe)(12)O-19 high entropy strontium ferrite systems and valance state analysis
期刊论文
OAI收割
CERAMICS INTERNATIONAL, 2022, 卷号: 48, 期号: 16, 页码: 23963-23974
作者:
Gan, Ke
;
Cai, Chao
;
Zong, Chengwu
;
Duan, Dongping
;
Yang, Jinlong
  |  
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2023/02/24
High-entropy oxides
Ferrites
Spinel
Hexagonal
Element electrovalence change
Investigations of Structural, Electronic and Magnetic Properties of MnSe under High Pressure
期刊论文
OAI收割
MATERIALS, 2022, 卷号: 15
作者:
Zhao, Jing
;
Zhang, Hanxing
;
Niu, Caoping
;
Wang, Xianlong
  |  
收藏
  |  
浏览/下载:30/0
  |  
提交时间:2022/03/21
high pressure
first-principles method
phase transition
spin crossover
MnSe
Type-II Dirac cones and electron-phonon interaction in monolayer biphenylene from first-principles calculations
期刊论文
OAI收割
PHYSICAL REVIEW B, 2021, 卷号: 104
作者:
Liu, Peng-Fei
;
Li, Jingyu
;
Zhang, Chi
;
Tu, Xin-Hai
;
Zhang, Junrong
  |  
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2022/03/21
Topological engineering of two-dimensional ionic liquid islands for high structural stability and CO2 adsorption selectivity
期刊论文
OAI收割
CHEMICAL SCIENCE, 2021, 页码: 8
作者:
Wang, Chenlu
;
Wang, Yanlei
;
Gan, Zhongdong
;
Lu, Yumiao
;
Qian, Cheng
  |  
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2022/06/15
Effects of local geometry distortion at the Al/Al2Cu interfaces on solute segregation
期刊论文
OAI收割
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2020, 卷号: 22
作者:
Zhang, Xuemei
;
Zhang, Yongsheng
  |  
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2020/11/26
Integrated Dual-Functional ORMOSIL Coatings with AgNPs@rGO Nanocomposite for Corrosion Resistance and Antifouling Applications
期刊论文
OAI收割
ACS SUSTAINABLE CHEMISTRY & ENGINEERING, 2020, 卷号: 8, 期号: 17, 页码: 6786-6797
作者:
Liu, Zhixiong
;
Tian, Shu
;
Li, Qiang
;
Wang, Jiancheng
;
Pu, Jibin
  |  
收藏
  |  
浏览/下载:51/0
  |  
提交时间:2020/12/16
REDUCED GRAPHENE OXIDE
SOL-GEL COATINGS
SILVER NANOPARTICLES
PERFORMANCE EVALUATION
ATMOSPHERIC CORROSION
COPPER CORROSION
CHLORIDE MEDIA
PROTECTION
SURFACE
PSEUDOPOTENTIALS
Semimetal or Semiconductor: The Nature of High Intrinsic Electrical Conductivity in TiS2
期刊论文
OAI收割
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2019, 卷号: 10, 期号: 22, 页码: 6996
作者:
Wang, Han
;
Qiu, Zhizhan
;
Xia, Weiyi
;
Ming, Chen
;
Han, Yuyan
  |  
收藏
  |  
浏览/下载:77/0
  |  
提交时间:2019/12/31
First-principles investigation of the vacancy-related properties of Ta2AlC
期刊论文
OAI收割
MODERN PHYSICS LETTERS B, 2019, 卷号: 33, 期号: 18, 页码: 7
作者:
Liu, Jitao
;
Meng, Zhaocang
;
Liu, Jiajia
;
Zhu, Xiaolu
;
Wang, Canglong
  |  
收藏
  |  
浏览/下载:48/0
  |  
提交时间:2019/11/10
Ta2AlC
vacancy formation energy
first-principles calculations