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合肥物质科学研究院 [16]
金属研究所 [15]
兰州理工大学 [6]
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期刊论文 [42]
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2022 [42]
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Chemistry [1]
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Lattice Distortions and Multiple Valence Band Convergence Contributing to High Thermoelectric Performance in MnTe
期刊论文
SMALL, 2022
作者:
Xiong, Wenjie
;
Wang, Zhichao
;
Zhang, Xuemei
;
Wang, Chong
;
Yin, Liangcao
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2022/12/23
band convergence
Chalcogenide
Lattice Distortions
Thermoelectric materials
First-principles calculation of the resistance to lead-bismuth eutectic corrosion on Fe (111) surface of austenitic stainless steel
期刊论文
Surface Science, 2022, 卷号: 725
作者:
Long, Xinglin
;
Shi, Jingli
;
Zhu, Jun
;
Wan, Lei
;
Gao, Tao
收藏
  |  
浏览/下载:31/0
  |  
提交时间:2022/08/09
Alloying
Alloying elements
Aluminum corrosion
Atoms
Austenitic stainless steel
Bismuth
Calculations
Corrosion inhibitors
Corrosive effects
Density functional theory
Eutectics
Steel corrosion
Adsorption effect
Adsorption energies
Escape
Fe atoms
First principle calculations
First principles
Lead-bismuth eutectic
Lead-bismuth eutectics
Metal atoms
Temperature-dependent Raman spectra of KTaO3 crystal and melt along with its phonon and electronic properties
期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2022, 卷号: 365
作者:
Wang, Jian
;
You, Jing L.
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  |  
浏览/下载:17/0
  |  
提交时间:2022/12/23
Temperature dependence
Microstructure
DFT
Raman spectroscopy
Unexpected Redispersion Effect of Au Nanoclusters for Enormous Enhancement of Electrocatalytic Stability and Activity
期刊论文
ADVANCED FUNCTIONAL MATERIALS, 2022
作者:
Xiao, Xiang-Yu
;
Song, Zong-Yin
;
Xie, Huanyu
;
Zhao, Yong-Huan
;
Chen, Shi-Hua
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  |  
浏览/下载:23/0
  |  
提交时间:2022/12/22
Au
(25) nanoclusters
DFT calculations
the electrocatalytic reduction of Cr(VI)
the sandwich configurations
unexpected redispersion effects
Theoretical design of BAs/WX2 (X = S, Se) heterostructures for high-performance photovoltaic applications from DFT calculations
期刊论文
APPLIED SURFACE SCIENCE, 2022, 卷号: 599, 页码: 11
作者:
Guan, Yue
;
Li, Xiaodan
;
Hu, Qingmiao
;
Zhao, Dandan
;
Zhang, Lin
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  |  
浏览/下载:36/0
  |  
提交时间:2022/09/16
First principle calculations
2D materials
Heterojunction
Electronic structure
Electric field
Photovoltaic applications
High-performance pseudocapacitive removal of cadmium via synergistic valence conversion in perovskite-type FeMnO3
期刊论文
JOURNAL OF HAZARDOUS MATERIALS, 2022, 卷号: 439
作者:
Xu, Yingsheng
;
Xiang, Shuhong
;
Zhang, Xinyuan
;
Zhou, Hongjian
;
Zhang, Haimin
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  |  
浏览/下载:19/0
  |  
提交时间:2022/12/23
Capacitive deionization
Perovskite-type oxides
Synergistic valence conversion
Pseudocapacitance electrode
Cadmium pollution
Theoretical prediction on structure evolution and optimal properties of silicon modified hexagonal boron nitride as interphase in SiCf/SiC composite
期刊论文
JOURNAL OF THE EUROPEAN CERAMIC SOCIETY, 2022, 卷号: 42, 期号: 13, 页码: 5323-5333
作者:
Zhang, Siyan
;
Liu, Mei
;
Luo, Yixiu
;
Sun, Luchao
;
Wang, Jiemin
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  |  
浏览/下载:37/0
  |  
提交时间:2022/09/16
Ab Initio molecular dynamics (AIMD)
Si-doped h-BN
Ceramic matrix composites (CMCs)
Interphase
Strong electronic interaction of indium oxide with palladium single atoms induced by quenching toward enhanced hydrogenation of nitrobenzene
期刊论文
APPLIED CATALYSIS B-ENVIRONMENTAL, 2022, 卷号: 313, 页码: 9
作者:
Li, Zhijun
;
Zhang, Mingyang
;
Dong, Xiuli
;
Ji, Siqi
;
Zhang, Lili
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  |  
浏览/下载:33/0
  |  
提交时间:2022/07/14
Single atom catalysis
Palladium
Indium oxide
Hydrogenation of nitrobenzene
Catalytic activity
3D printed geopolymer adsorption sieve for removal of methylene blue and adsorption mechanism
期刊论文
Colloids and Surfaces A: Physicochemical and Engineering Aspects, 2022, 卷号: 648
作者:
Jin, Haize
;
Zhang, Yuhang
;
Zhang, Xingxing
;
Chang, Min
;
Li, Cuixia
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  |  
浏览/下载:31/0
  |  
提交时间:2022/06/20
Aromatic compounds
Calculations
Density functional theory
Design for testability
Geopolymers
Hydrogen bonds
Ion exchange
Sieves
3-D printing
3D-printing
Adsorption mechanism
Adsorption properties
Adsorption rates
Density-functional theory calculations
First principles
Geopolymer
Methylene Blue
Optimisations
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
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2022/07/19
Cobalt diselenide
Phase transition
Supercapacitor
Density function theory
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