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大连化学物理研究所 [23]
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会议论文 [44]
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Self-supported NbSe2 nanosheet arrays for highly efficient ammonia electrosynthesis under ambient conditions
会议论文
作者:
Wang, Yong
;
Chen, Anran
;
Lai, Shuhua
;
Peng, Xianyun
;
Zhao, Shunzheng
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2020/12/18
Ammonia
Density functional theory
Efficiency
Electrocatalysts
Electrolytes
Electrolytic reduction
Hydrogen
Nanosheets
Reaction kinetics
Selenium compounds
Sodium sulfateAqueous electrolyte
Electro reduction
Faradaic efficiencies
Hydrogen evolution
Nano-architecture
NH3 electrosynthesis
Reversible hydrogen electrodes
Self-supported
Calcined ZnNiAl hydrotalcite-like compounds as bifunctional catalysts for carbonyl sulfide removal
会议论文
Tianjin Univ, Tianjin, PEOPLES R CHINA, OCT 16-20, 2017
作者:
Zhao, Shunzheng
;
Yi, Honghong
;
Tang, Xiaolong
;
Kang, Dongjuan
;
Gao, Fengyu
收藏
  |  
浏览/下载:72/0
  |  
提交时间:2019/06/21
Carbonyl sulfide
Hydrotalcite-like compounds
Mixed metal oxides
Deactivation
Catalysts screening, optimization and mechanism studies of dimethylhexane-1,6-dicarbamate synthesis from 1,6-hexanediamine and dimethyl carbonate over Mn(OAc)(2) catalyst
会议论文
Singapore, SINGAPORE, JUL 05-09, 2015
作者:
Zhao, Liyan
;
He, Peng
;
Wang, Liguo
;
Ammar, Muhammad
;
Cao, Yan
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2019/06/21
Dimethyl Carbonate (Dmc)
Zinc Acetate
Dimethylhexane-1,6-dicarbamate (Hdc)
Polyatomic-molecules
Mechanism
Diethyl Carbonate
Homogeneous Catalyst
Transition-states
Alkyl Carbamate
Methoxycarbonylation
1,6-hexamethylenediamine
Dicarbamate
Methanol
Dioxide
Sensing mechanism of SnO2(110) surface to NO2: Density functional theory calculations
会议论文
17th IUMRS International Conference in Asia, IUMRS-ICA 2016, Qingdao, China, 2016-10-20
作者:
Wang, Xiao Feng
;
Ma, Wei
;
Sun, Kaiming
;
Hu, Ji Fan
;
Qin, Hong Wei
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2019/12/03
Sensing mechanism of SnO2(110) surface to NO2: Density functional theory calculations
会议论文
17th IUMRS International Conference in Asia, IUMRS-ICA 2016, October 20, 2016 - October 24, 2016
作者:
Wang, Xiao Feng
;
Ma, Wei
;
Sun, Kaiming
;
Hu, Ji Fan
;
Qin, Hong Wei
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2019/12/31
Controlled growth and atomic-scale characterizations of graphene and h-BN heterostructures on single crystal substrates
会议论文
Yanfeng Zhang
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2017/12/03
graphene
h-BN
heterostructures
scanning tunneling microscope(STM)
density functional theory(DFT) calculations
CVD growth
graphene
h-BN
heterostructures
scanning tunneling microscope(STM)
density functional theory(DFT) calculations
CVD growth
Thermodynamic Properties of Elements and Compounds in Al-Sc Binary System from Ab Initio Calculations Based on Density Functional Theory
会议论文
作者:
Zhou, Zeyou
;
Wu, Bo
;
Dou, Shushi
;
Zhao, Chunfeng
;
Xiong, Yuanpeng
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2019/11/21
Electronic Structure Tuning and Interface Charge Transfer in Hybrid Graphene/Titania and Adatom/Graphene/Titania: First Principles Calculations
会议论文
8th China National Conference on Functional Materials and Applications (NCFMA 2013), Harbin, PEOPLES R CHINA, AUG 23-26, 2013
作者:
Zhang, ZY
;
Sung, DC
;
Hong, SY
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2015/07/31
Titania
Photocatalyst
Graphene
First principles calculations
Density functional theory
Collision of H+ + CH4 at 30 eV: A simulation study
会议论文
作者:
Gao, Cong-Zhang
;
Wang, Jing
;
Zhang, Feng-Shou
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2018/08/20
Time-dependent density functional theory
Molecular dynamics
Electronic density
Scattering angle
A density functional study of zinc oxide elastic properties under high pressure
会议论文
IUTAM Symposium on Surface Effects in the Mechanics of Nanomaterials and Heterostructures, Beijing, China, AUG 8-12, 2010
作者:
Wang BB(王斌斌)
;
Zhao YP(赵亚溥)
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2014/03/04
ZnO
Elastic properties
Density functional theory (DFT)
Multi-scale simulation
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