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宁波材料技术与工程研... [6]
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高能物理研究所 [1]
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期刊论文 [9]
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2016 [2]
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Chemistry [9]
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Synergistic effects of heteroatom-decorated MXene catalysts for CO reduction reactions
期刊论文
NANOSCALE, 2020, 卷号: 12, 期号: 29, 页码: 15880-15887
作者:
Li, Lei
;
Li, Baihai
;
Guo, Haoran
;
Li, Yanle
;
Sun, Chenghua
收藏
  |  
浏览/下载:144/0
  |  
提交时间:2020/12/16
HYDROGEN EVOLUTION REACTION
TOTAL-ENERGY CALCULATIONS
ELECTROCHEMICAL REDUCTION
MONOLAYER MXENE
CARBON-DIOXIDE
ELECTROREDUCTION
TRANSITION
CONVERSION
NANOSHEETS
METHANE
Visible/infrared light-driven high-efficiency CO2 conversion into ethane based on a B-Co synergistic catalyst
期刊论文
JOURNAL OF MATERIALS CHEMISTRY A, 2020, 卷号: 8, 期号: 42, 页码: 22327-22334
作者:
Li, Lei
;
Guo, Haoran
;
Yao, Ge
;
Hu, Chenhui
;
Liu, Chunhong
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2020/12/16
HYDROGEN EVOLUTION REACTION
TOTAL-ENERGY CALCULATIONS
SINGLE-ATOM CATALYSTS
OXYGEN REDUCTION
CARBON-DIOXIDE
ELECTROCHEMICAL REDUCTION
ELECTROREDUCTION
TRANSITION
CU
SURFACE
Thermodynamic description of the Dy-Si-C system in silicon carbide ceramics
期刊论文
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY, 2020, 卷号: 68
作者:
Xu, Kai
;
Chen, Leilei
;
Chang, Keke
;
Wan, Peng
;
Li, Mian
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  |  
浏览/下载:16/0
  |  
提交时间:2020/12/16
TOTAL-ENERGY CALCULATIONS
RARE-EARTH SILICIDES
ENTHALPIES
CARBON
FABRICATION
TRANSFORMATION
DYSPROSIUM
GERMANIDES
DICARBIDES
HOSI1.67
Catalytic Polysulfide Conversion and Physiochemical Confinement for Lithium-Sulfur Batteries
期刊论文
ADVANCED ENERGY MATERIALS, 2020, 卷号: 10, 期号: 22
作者:
Sun, Zixu
;
Vijay, Sudarshan
;
Heenen, Hendrik H.
;
Eng, Alex Yong Sheng
;
Tu, Wenguang
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  |  
浏览/下载:51/0
  |  
提交时间:2020/12/16
TOTAL-ENERGY CALCULATIONS
METAL-ORGANIC FRAMEWORK
RATIONAL DESIGN
CARBON
NITROGEN
EFFICIENT
CATHODE
ELECTRODE
HOST
HETEROSTRUCTURES
Boosted Electrocatalytic N-2 Reduction to NH3 by Defect-Rich MoS2 Nanoflower
期刊论文
ADVANCED ENERGY MATERIALS, 2018, 卷号: 8, 期号: 30
作者:
Qiu, Weibin
;
Sun, Xuping
;
Tang, Bo
;
Chen, Liang
;
Asiri, Abdullah M.
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  |  
浏览/下载:38/0
  |  
提交时间:2018/12/04
Efficient Hydrogen Evolution
Total-energy Calculations
Single Molybdenum Center
Active Edge Sites
Wave Basis-set
Ambient Conditions
Ultrathin Nanosheets
Atmospheric-pressure
Catalytic-reduction
Nitrogen-fixation
Boosted Electrocatalytic N-2 Reduction to NH3 by Defect-Rich MoS2 Nanoflower
期刊论文
ADVANCED ENERGY MATERIALS, 2018, 卷号: 8, 期号: 30
作者:
Sun, Xuping
;
Li, Xianghong
;
Li, Tingshuai
;
Ma, Yongjun
;
Wei, Qin
收藏
  |  
浏览/下载:53/0
  |  
提交时间:2018/12/04
Efficient Hydrogen Evolution
Total-energy Calculations
Single Molybdenum Center
Active Edge Sites
Wave Basis-set
Ambient Conditions
Ultrathin Nanosheets
Atmospheric-pressure
Catalytic-reduction
Nitrogen-fixation
Charge transfer of edge states in zigzag silicene nanoribbons with Stone-Wales defects from first-principles
期刊论文
APPLIED SURFACE SCIENCE, 2016, 卷号: 383, 页码: 310-316
作者:
Xie, T
;
Wang, R
;
Wang, SF
;
Wu, XZ
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2019/04/08
Zigzag silicene nanoribbons
TOTAL-ENERGY CALCULATIONS
Stone-Wales defects
AUGMENTED-WAVE METHOD
Electronic properties
ELECTRON-GAS
First-principles
BASIS-SET
SI
Local charge states in hexagonal boron nitride with Stone-Wales defects
期刊论文
NANOSCALE, 2016, 卷号: 8, 期号: 15, 页码: 8210-8219
作者:
Wang, R
;
Yang, JL
;
Wu, XZ
;
Wang, SF
收藏
  |  
浏览/下载:51/0
  |  
提交时间:2019/04/08
BRILLOUIN-ZONE INTEGRATIONS
TOTAL-ENERGY CALCULATIONS
AUGMENTED-WAVE METHOD
MAGNETIC-PROPERTIES
ELECTRON-GAS
BASIS-SET
NANORIBBONS
GRAPHENE
NANOTUBES
CARBON
Theoretical studies of structures and stabilities of a new odd-numbered fullerene dimer: C-141
期刊论文
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2004, 卷号: 25, 期号: 16, 页码: 2023-2030
作者:
Gao XF(高兴发)
;
Yuan H(袁慧)
;
Chen ZL(陈振玲)
;
Zhao YL(赵宇亮)
;
Gao, XF
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2016/06/29
C-141
calculations
B3LYP
structures
stabilities
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