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宁波材料技术与工程... [16]
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期刊论文 [66]
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2020 [66]
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Combined experimental and first-principles studies of structural and physical properties of beta-Ti3SiC2
期刊论文
JOURNAL OF APPLIED PHYSICS, 2020, 卷号: 128, 期号: 22, 页码: 10
作者:
Zhang, Linqi
;
Sun, Jianrong
;
Gao, Xing
;
Deng, Tianyu
;
Cheng, Zhaoyi
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浏览/下载:16/0
  |  
提交时间:2021/12/13
Tests on the Accuracy and Scalability of the Full-Potential DFT Method Based on Multiple Scattering Theory
期刊论文
FRONTIERS IN CHEMISTRY, 2020, 卷号: 8, 页码: 590047
作者:
Cao PY(曹沛宇)
;
Fang J
;
Gao XY
;
Tian FY
;
Song HF
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  |  
浏览/下载:22/0
  |  
提交时间:2021/02/09
first principles
Korringa-Kohn-Rostoker (KKR)
multiple scattering theory (MST)
full potential
elastic constants
Measurements of total reaction cross sections for 17Ne using a solid hydrogen target
期刊论文
Journal of Physics: Conference Series, 2020, 卷号: 1643, 期号: 1
作者:
Moriguchi,T.
;
Amano,M.
;
Ozawa,A.
;
Horiuchi,W.
;
Abe,Y.
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  |  
浏览/下载:21/0
  |  
提交时间:2021/12/13
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:11/0
  |  
提交时间:2021/03/29
The electronic structure of WS molecule below 21,500 cm(-1)
期刊论文
JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER, 2020, 卷号: 256, 页码: 7
作者:
Zhang, Jicai
;
Zou, Wenli
;
Zhang, Lei
;
Zhao, Dongmei
;
Ma, Xinwen
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浏览/下载:50/0
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提交时间:2021/12/10
WS
Spin-orbit coupling
Laser-induced fluorescence (LIF)
ab initio calculation
Spectroscopic constants
AN AB INITIO INVESTIGATION OF THE EFFECT OF Co, Ru, W, Ta ON THE STABILITY AND ELECTRONIC PROPERTIES OF Ni-BASE SINGLE CRYSTAL SUPERALLOYS
期刊论文
DIGEST JOURNAL OF NANOMATERIALS AND BIOSTRUCTURES, 2020, 卷号: 15, 期号: 4, 页码: 1215-1226
作者:
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浏览/下载:10/0
  |  
提交时间:2021/03/15
Site occupancy
Ab initio calculations
Ni-based single crystal superalloys
Electronic structure
Targeted research on the single role of lithium Bis(oxalate)borate in the film-forming process through a novel lithium salt-free electrolyte system
期刊论文
Journal of Power Sources, 2020, 卷号: 471
作者:
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浏览/下载:6/0
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提交时间:2020/11/14
Lithium compounds
Oxalic acid
Photoelectron spectroscopy
Quantum chemistry
Reduction
Scanning electron microscopy
Solid electrolytes
Attenuated total reflectance
Electrochemical impedance spectra
Film forming mechanism
Lithium bis(oxalate)borate
Quantum chemical calculations
Solid electrolyte interphase film
Surface film formations
X ray photo-electron diffraction
Single Fe Site on the Surface of gamma-Al2O3: Insights from Density Functional Theory Periodic Boundary Approach
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2020, 卷号: 124, 期号: 38, 页码: 20931-20941
作者:
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浏览/下载:18/0
  |  
提交时间:2020/12/21
Two-Dimensional Electron Gas at the Spinel/Perovskite Interface: Suppression of Polar Catastrophe by an Ultrathin Layer of Interfacial Defects
期刊论文
ACS APPLIED MATERIALS & INTERFACES, 2020, 卷号: 12
作者:
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浏览/下载:37/0
  |  
提交时间:2020/11/30
oxide interface
two-dimensional electron gas
spinel
perovskite
titanium oxides
Selective C-3-C-4 Keto-Alcohol Production from Cellulose Hydrogenolysis over Ni-WOx/C Catalysts
期刊论文
ACS CATALYSIS, 2020, 卷号: 10, 期号: 18, 页码: 10646-10660
作者:
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浏览/下载:12/0
  |  
提交时间:2021/10/22
biomass
cellulose
keto-alcohols
Ni-WOx/C catalyst
hydrogenolysis
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