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期刊论文 [27]
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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
Unprecedented differences in the diamond nucleation density between carbon- and silicon-faces of 4H-silicon carbides
期刊论文
CHINESE CHEMICAL LETTERS, 2020, 卷号: 31, 期号: 7, 页码: 2013-2018
作者:
Wang, Bo
;
Sukkaew, Pitsiri
;
Song, Guichen
;
Rosenkranz, Andreas
;
Lu, Yunxiang
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  |  
浏览/下载:113/0
  |  
提交时间:2020/12/16
MOLECULAR CALCULATIONS
GROWTH-MECHANISM
AB-INITIO
NANOCRYSTALLINE
THERMOCHEMISTRY
ADSORPTION
HYDROGEN
ATOMS
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
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  |  
浏览/下载:16/0
  |  
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
收藏
  |  
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
Aggregation behavior of dihexadecylviologen bistriflimide ionic liquid crystal in different solvents: influence of polarity and concentration
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2018, 卷号: 20, 期号: 35, 页码: 22730-22738
作者:
Li, S
;
Saielli, G
;
Wang, YT
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  |  
浏览/下载:40/0
  |  
提交时间:2018/12/27
ELECTROCHROMIC DEVICES
DIELECTRIC-CONSTANT
MOLECULAR-SOLVENTS
ORGANIC-MOLECULES
AQUEOUS-SOLUTIONS
DFT CALCULATIONS
FORCE-FIELD
VIOLOGEN
NMR
SIMULATIONS
Aggregation behavior of dihexadecylviologen bistriflimide ionic liquid crystal in different solvents: influence of polarity and concentration
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2018, 卷号: 20, 期号: 35, 页码: 22730-22738
作者:
Saielli, G
;
Li, S
;
Wang, YT
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2018/12/26
ELECTROCHROMIC DEVICES
DIELECTRIC-CONSTANT
MOLECULAR-SOLVENTS
ORGANIC-MOLECULES
AQUEOUS-SOLUTIONS
DFT CALCULATIONS
FORCE-FIELD
VIOLOGEN
NMR
SIMULATIONS
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.
收藏
  |  
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
Room-Temperature Bound Exciton with Long Lifetime in Monolayer GaN
期刊论文
ACS PHOTONICS, 2018, 卷号: 5, 期号: 10, 页码: 4081-4088
作者:
Lu, Hongliang
;
Zhu, Heyuan
;
Peng, Bo
;
Zhang, Hao
;
Shao, Hezhu
收藏
  |  
浏览/下载:72/0
  |  
提交时间:2018/12/04
1st Principles Calculations
Ab-initio Calculation
Energy
Semiconductors
Excitations
Insulators
Absorption
Spectra
Room-Temperature Bound Exciton with Long Lifetime in Monolayer GaN
期刊论文
ACS PHOTONICS, 2018, 卷号: 5, 期号: 10, 页码: 4081-4088
作者:
Zhang, Hao
;
Peng, Bo
;
Shao, Hezhu
;
Xu, Ke
;
Ni, Gang
收藏
  |  
浏览/下载:36/0
  |  
提交时间:2018/12/04
1st Principles Calculations
Ab-initio Calculation
Energy
Semiconductors
Excitations
Insulators
Absorption
Spectra
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