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科研机构
金属研究所 [707]
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期刊论文 [707]
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2022 [36]
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Cl-induced passivity breakdown in alpha-Fe2O3 (0001), alpha-Cr2O3 (0001), and their interface: A DFT study
期刊论文
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2022, 卷号: 129, 页码: 70-78
作者:
Yin, Xiaoran
;
Wang, Haitao
;
Han, En-Hou
收藏
  |  
浏览/下载:87/0
  |  
提交时间:2022/07/14
Hematite
Chromia
DFT plus U
Interface
Cl-induced depassivation
Accelerating CO2 reduction on novel double perovskite oxide with sulfur, carbon incorporation: Synergistic electronic and chemical engineering
期刊论文
CHEMICAL ENGINEERING JOURNAL, 2022, 卷号: 446, 页码: 11
作者:
Raziq, Fazal
;
Khan, Khakemin
;
Ali, Sajjad
;
Ali, Sharafat
;
Xu, Hu
收藏
  |  
浏览/下载:29/0
  |  
提交时间:2022/07/14
CO 2 conversion
Chemical engineering
Electronic engineering
Novel double perovskite
Density functional theory
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
收藏
  |  
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
Accurate structural descriptor enabled screening for nitrogen and oxygen vacancy codoped TiO2 with a large bandgap narrowing
期刊论文
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2022, 卷号: 122, 页码: 84-90
作者:
Zhang, Kangyu
;
Yin, Lichang
;
Liu, Gang
;
Cheng, Hui-Ming
收藏
  |  
浏览/下载:25/0
  |  
提交时间:2022/07/01
Structural descriptor
Bandgap narrowing
Doping
Machine learning
Density functional theory
TiO2
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
  |  
浏览/下载:33/0
  |  
提交时间:2022/09/16
First-principles calculations
Variable-composition evolutionary structure search
Pd-Nb binary system
Intermetallics
Electronic structures
Elastic properties
Identify fine microstructure of multifarious iron oxides via O K-edge EELS spectra
期刊论文
CHINESE CHEMICAL LETTERS, 2022, 卷号: 33, 期号: 9, 页码: 4375-4379
作者:
Chen, Junnan
;
Li, Yujie
;
Lu, Ming
;
Niu, Yiming
;
Zhang, Bingsen
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  |  
浏览/下载:24/0
  |  
提交时间:2022/09/16
EELS
ELNES
EXELFS
Transition metal oxides
DFT
Wavelet analyze
Carbon-Shielded Single-Atom Alloy Material Family for Multi-Functional Electrocatalysis
期刊论文
ADVANCED FUNCTIONAL MATERIALS, 2022, 页码: 11
作者:
Tong, Yueyu
;
Liu, Jiaxin
;
Wang, Liqun
;
Su, Bing-Jian
;
Wu, Kuang-Hsu
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  |  
浏览/下载:36/0
  |  
提交时间:2022/09/16
multifunctional electrocatalysts
oxygen reduction reactions
remote manipulations
single atom alloys
water splitting
Benignly-fabricated supramolecular poly(amidoxime)-alginate-poly(acrylic acid) beads synergistically enhance uranyl capture from seawater
期刊论文
CHEMICAL ENGINEERING JOURNAL, 2022, 卷号: 441, 页码: 12
作者:
Ahmad, Zia
;
Li, Yun
;
Ali, Sajjad
;
Yang, Jiajia
;
Jan, Faheem
收藏
  |  
浏览/下载:29/0
  |  
提交时间:2022/07/14
Amidoxime
Carboxyl
Supramolecular synergistic
Uranium Extraction
Seawater
In situ neutron diffraction unravels deformation mechanisms of a strong and ductile FeCrNi medium entropy alloy
期刊论文
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2022, 卷号: 116, 页码: 103-120
作者:
Tang, L.
;
Jiang, F. Q.
;
Wrobel, J. S.
;
Liu, B.
;
Kabra, S.
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2022/07/01
Medium entropy alloy
Multi-component alloy
Cryogenic temperature
Neutron diffraction
Direct Atomic Observation of Reversible Orientation Switch in Monoatomic-Layered Gold Membrane Conducted by Dynamic Vortex
期刊论文
ACS APPLIED MATERIALS & INTERFACES, 2022, 页码: 8
作者:
Chen, Chunjin
;
Wang, Xuelu
;
Hao, Shuhui
;
Du, Kui
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2022/09/16
reversible switch
spin splitting dynamic vortex
TEM
AIMD
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