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First-principles study of the structural, electronic, dynamical, and mechanical properties of Pd-Nb binary systems
期刊论文
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY, 2022, 卷号: 78, 页码: 12
作者:
Liu, Mingfeng
;
Wang, Lei
;
Wang, Jiantao
;
Zhu, Heyu
;
Ma, Hui
收藏
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浏览/下载:35/0
  |  
提交时间:2022/09/16
First-principles calculations
Variable-composition evolutionary structure search
Pd-Nb binary system
Intermetallics
Electronic structures
Elastic properties
Exploring the effects of temperature-driven phase transition on supercapacitive performance of cobalt diselenide
期刊论文
JOURNAL OF POWER SOURCES, 2022, 卷号: 541
作者:
Li, Mingjie
;
Liu, Weizhe
;
Ju, Jiaming
;
Xie, Lixiang
;
Chen, Yuhong
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  |  
浏览/下载:26/0
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提交时间:2022/07/19
Cobalt diselenide
Phase transition
Supercapacitor
Density function theory
First-principles study of helium-vacancy complexes in Be12Ti
期刊论文
PHYSICS LETTERS A, 2022, 卷号: 424, 页码: 6
作者:
Zhu, Xiaolu
;
Zhang, Yaowen
;
Tang, Wei
;
Meng, Zhaocang
;
Li, Wentao
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  |  
浏览/下载:16/0
  |  
提交时间:2022/04/11
First-principles calculations
He-vacancy complexes
Vacancy trapping
Be12Ti
Catalytic Performance of Amorphous Alloy in Wastewater Treatment
期刊论文
Cailiao Daobao/Materials Reports, 2022, 卷号: 36, 期号: 2
作者:
Pei, Liefei
;
Zhang, Xiangyun
;
Yuan, Zizhou
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  |  
浏览/下载:34/0
  |  
提交时间:2022/04/21
Activation energy
Amorphous alloys
Azo dyes
Catalysis
Catalyst activity
Copper alloys
Electron transport properties
Heavy metals
Leaching
Passivation
Rate constants
Redox reactions
Reusability
Wastewater treatment
Azo-dyes
Catalytic performance
Degradation agents
Degradation efficiency
Dyes wastewaters
Printing and dyeing
Reaction activity
Source of waters
Zero-valent iron
]+ catalyst
Toward the Rational Design of Mid-Infrared Nonlinear Optical Materials with Targeted Properties via a Multi-Level Data-Driven Approach
期刊论文
ADVANCED FUNCTIONAL MATERIALS, 2022, 卷号: 32, 期号: 23, 页码: 1-9
作者:
Cai, WB (Cai, Wenbing) [1]
;
Abudurusuli, A (Abudurusuli, Ailijiang) [1] , [2]
;
Xie, CW (Xie, Congwei) [1]
;
Tikhonov, E (Tikhonov, Evgenii) [1]
;
Li, JJ (Li, Junjie) [1] , [2]
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  |  
浏览/下载:30/0
  |  
提交时间:2022/06/21
crystal structure prediction
high-throughput computation and screening
machine learning
nonlinear optical material
second harmonic generation response
Doping in the two-dimensional limit: p/n-type defects in monolayer ZnO
期刊论文
Physical Review B, 2022, 卷号: 105, 期号: 2, 页码: 7
作者:
D. Han
;
X. B. Li
;
D. Wang
;
N. K. Chen and X. W. Fan
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浏览/下载:0/0
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提交时间:2023/06/14
Conformational polymorphs of isotretinoin and their impact on physicochemical and biological properties
期刊论文
INTERNATIONAL JOURNAL OF PHARMACEUTICS, 2021, 卷号: 610, 页码: 10
作者:
Cheng, Yinxiang
;
Rong, Xiaoyi
;
Xia, Mengyuan
;
Zhang, Zaiyong
;
Wang, Jian-Rong
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  |  
浏览/下载:73/0
  |  
提交时间:2022/01/04
Polymorph
Isotretinoin
Stability
Solubility
Bioavailability
Rejuvenation Behaviors in Metallic Glasses
期刊论文
ACTA METALLURGICA SINICA, 2021, 卷号: 57, 期号: 4, 页码: 439-452
作者:
Pan Jie
;
Duan Fenghui
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  |  
浏览/下载:40/0
  |  
提交时间:2021/10/15
metallic glass
rejuvenation
energy state
microstructure
deformation behavior
Solvents-dependent selective fabrication of face-centered cubic and hexagonal close-packed structured ruthenium nanoparticles during liquid-phase laser ablation
期刊论文
JOURNAL OF COLLOID AND INTERFACE SCIENCE, 2021, 卷号: 585
作者:
Pang, Beibei
;
Ma, Yao
;
Tian, Zhenfei
;
Liu, Jun
;
Wu, Shouliang
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  |  
浏览/下载:44/0
  |  
提交时间:2021/03/15
Ruthenium nanoparticles
Crystallographic structure
Metastable phase
Laser ablation in liquids
Phase-controlled synthesis of Ni nanocrystals with high catalytic activity in 4-nitrophenol reduction
期刊论文
JOURNAL OF MATERIALS CHEMISTRY A, 2020, 卷号: 8, 期号: 42, 页码: 22143-22154
作者:
Zhuang, Jiahao
;
Liu, Xianglin
;
Ji, Yongjun
;
Gu, Fangna
;
Xu, Jing
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  |  
浏览/下载:12/0
  |  
提交时间:2021/03/29
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