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期刊论文 [267]
会议论文 [1]
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2019 [268]
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Density functional theory study on the electronic structures and related properties of Ag-doped CH3NH3PbI3 perovskite
期刊论文
RESULTS IN PHYSICS, 2019, 卷号: 15
作者:
Xu, Zi-Wei
;
Zhang, Cai-Rong
;
Wu, You-Zhi
;
Gong, Ji-Jun
;
Wang, Wei
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2022/03/01
Density functional theory
Electronic structures
Perovskite CH3NH3PbI3
Doping
Occurrence of both hydroxyl radical and surface oxidation pathways in N-doped layered nanocarbons for aqueous catalytic ozonation
期刊论文
APPLIED CATALYSIS B-ENVIRONMENTAL, 2019, 卷号: 254, 页码: 283-291
作者:
Wang, Yuxian
;
Chen, Lulu
;
Chen, Chunmao
;
Xi, Jiaxin
;
Cao, Hongbin
收藏
  |  
浏览/下载:107/0
  |  
提交时间:2019/09/03
Metal-free catalysis
Catalytic ozonation
Nitrogen doping
Surface oxidation
Density functional theory (DFT)
Monometallic nanoporous nickel with high catalytic performance towards hydrazine electro-conversion and its DFT calculations
期刊论文
ELECTROCHIMICA ACTA, 2019, 卷号: 317, 页码: 449-458
作者:
Luo, Bing
;
Wu, Tongwei
;
Zhang, Lili
;
Diao, Fangyuan
;
Zhang, Yanning
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2021/02/02
Nanoporous nickel
Magnetron sputtering
Dealloying
Hydrazine conversion
Density functional theory (DFT)
Monometallic nanoporous nickel with high catalytic performance towards hydrazine electro-conversion and its DFT calculations
期刊论文
ELECTROCHIMICA ACTA, 2019, 卷号: 317, 页码: 449-458
作者:
Luo, Bing
;
Wu, Tongwei
;
Zhang, Lili
;
Diao, Fangyuan
;
Zhang, Yanning
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2021/02/02
Nanoporous nickel
Magnetron sputtering
Dealloying
Hydrazine conversion
Density functional theory (DFT)
Boosting the rate capability of multichannel porous TiO2 nanofibers with well-dispersed Cu nanodots and Cu2+-doping derived oxygen vacancies for sodium-ion batteries
期刊论文
NANO RESEARCH, 2019, 卷号: 12, 期号: 9, 页码: 2211-2217
作者:
Wu, Ying
;
Wei, Zengxi
;
Xu, Rui
;
Gong, Yue
;
Gu, Lin
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  |  
浏览/下载:76/0
  |  
提交时间:2019/12/02
multichannel porous TiO2 nanofibers
Cu nanodots
Cu2+ doping
sodium ion batteries
density functional theory (DFT) calculations
Synthesis and PTP1B/TCPTP Inhibitory Activity Evaluation of Novel 2,5-Disubstituted-1,3,4-thiadiazolamide Derivatives Containing Carbazole/Benzimidazole Moity
期刊论文
CHINESE JOURNAL OF ORGANIC CHEMISTRY, 2019, 卷号: 39, 期号: 9, 页码: 2599-2608
作者:
Li Yingjun
;
Zhao Yue
;
Jin Kun
;
Gao Lixin
;
Sheng Li
收藏
  |  
浏览/下载:34/0
  |  
提交时间:2020/07/01
1,3,4-thiadiazolamide
carbazole
benzimidazole
synthesis
PTP1B inhibitor
molecular docking
density functional theory (DFT) study
Chabazite Architecture Dominates the Structure of SAPO-34's Surface Methoxy Species
期刊论文
CATALYSIS LETTERS, 2019, 卷号: 149, 期号: 8, 页码: 2104-2109
作者:
Zang, Kailu
;
Zhang, Wenna
;
Huang, Jindou
;
Feng, Pei
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  |  
浏览/下载:53/0
  |  
提交时间:2019/07/26
Zeolites
Reaction intermediates
Density functional theory
Methanol-to-olefins
SAPO-34
Surface methoxy species
Chabazite architecture
Steric hindrance
DFT Study of Pyrolysis Gasoline Hydrogenation on Pd(100), Pd(110) and Pd(111) Surfaces
期刊论文
Catalysis Letters, 2019, 卷号: 149, 期号: 8, 页码: 2226-2233
作者:
Ma, Haowen
;
Yang, Yang
;
Feng, Huixia
;
Cheng, Daojian
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2022/02/17
Activation energy
Blending
Density functional theory
Diffusion barriers
Hydrogenation
Pyrolysis
Reaction intermediates
Styrene
Activation barriers
Adsorption energies
Catalytic hydrogenation
Intermediate product
Preparation technique
Pyrolysis gasoline
Rate-limiting steps
Styrene hydrogenation
Investigation of the relationship between electronic properties and reactivity of 3DOM LaFe1-xCoxO3 for methane reforming to produce syngas
期刊论文
INTERNATIONAL JOURNAL OF ENERGY RESEARCH, 2019, 页码: 15
作者:
Zhao, Kun
;
Chen, Jing
;
Li, Haibin
;
Zheng, Anqing
;
Huang, Zhen
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2020/10/29
3DOM
perovskite
chemical looping
methane reforming
synergism
density functional theory
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