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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
Authors:  Wu, Ying;  Wei, Zengxi;  Xu, Rui;  Gong, Yue;  Gu, Lin;  Ma, Jianmin;  Yu, Yan
Favorite  |  View/Download:6/0  |  Submit date:2019/12/02
multichannel porous TiO2 nanofibers  Cu nanodots  Cu2+ doping  sodium ion batteries  density functional theory (DFT) calculations  
Mechanistic Understanding of Size-Dependent Oxygen Reduction Activity and Selectivity over Pt/CNT Nanocatalysts 期刊论文
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY, 2019, 期号: 27, 页码: 3210-3217
Authors:  Gan, Jie;  Luo, Wei;  Chen, Wenyao;  Guo, Jianing;  Xiang, Zhonghua;  Chen, Bingxu;  Yang, Fan;  Cao, Yunjun;  Song, Fei;  Duan, Xuezhi;  Zhou, Xinggui
Favorite  |  View/Download:9/0  |  Submit date:2019/12/02
Sustainable chemistry  Catalysis  Platinum  Active site  Density functional calculations  
Interplay Between Site Activity and Density of BCC Iron for Ammonia Synthesis Based on First-Principles Theory 期刊论文
CHEMCATCHEM, 2019, 卷号: 11, 期号: 7, 页码: 1928-1934
Authors:  Zhang, Bing-Yan;  Su, Hai-Yan;  Liu, Jin-Xun;  Li, Wei-Xue
Favorite  |  View/Download:11/0  |  Submit date:2019/06/20
Heterogeneous Catalysis  Density Functional Calculations  Iron  Kinetics  Ammonia synthesis  
Synthesis of Pure Silica MWW Zeolite in Fluoride Medium by Using an Imidazolium-Based Long Dication 期刊论文
CHEMISTRY-A EUROPEAN JOURNAL, 2019, 卷号: 25, 期号: 6, 页码: 1561-1572
Authors:  Lu, Peng;  Gomez-Hortiguela, Luis;  Camblor, Miguel A.
Favorite  |  View/Download:15/0  |  Submit date:2019/06/20
density functional calculations  fluoride media  molecular mechanics  structure directing agent  zeolites  
Reaction Mechanisms of Well-Defined Metal-N-4 Sites in Electrocatalytic CO2 Reduction 期刊论文
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2018, 卷号: 57, 期号: 50, 页码: 16339-16342
Authors:  Zhang, Zheng;  Xiao, Jianping;  Chen, Xue-Jiao;  Yu, Song;  Yu, Liang;  Si, Rui;  Wang, Yong;  Wang, Suheng;  Meng, Xianguang;  Wang, Ye;  Tian, Zhong-Qun;  Deng, Dehui
Favorite  |  View/Download:13/0  |  Submit date:2019/06/20
cobalt  density-functional calculations  electrochemistry  reaction mechanisms  reduction  
Pd-Containing Nanostructures for Electrochemical CO2 Reduction Reaction 期刊论文
ACS CATALYSIS, 2018, 卷号: 8, 期号: 2, 页码: 1510-1519
Authors:  Gao, Dunfeng;  Zhou, Hu;  Cai, Fan;  Wang, Jianguo;  Wang, Guoxiong;  Bao, Xinhe
Favorite  |  View/Download:13/0  |  Submit date:2019/06/20
Electrochemical Co2 Reduction Reaction  Pd-containing Nanostructures  Active Site  Active Phase Transformation  Bimetallic Catalysts  Electrochemical Promotion Of Catalysis  Coupled Thermo- And Electrocatalysis  Density Functional Theory Calculations  
Structural and Electronic Properties of ConC3-/0 and ConC4-/0(n=1-4) Clusters: Mass-Selected Anion Photoelectron Spectroscopy and Density Functional Theory Calculations 期刊论文
CHINESE JOURNAL OF CHEMICAL PHYSICS, 2017, 卷号: 30, 期号: 6, 页码: 717-726
Authors:  Xu, Xi-ling;  Yuan, Jin-yun;  Yang, Bin;  Xu, Hong-guang;  Zheng, Wei-jun
Favorite  |  View/Download:7/0  |  Submit date:2019/06/20
Photoelectron Spectroscopy  Transition Metal Carbide  Structural Evolution  Density Functional Calculations  
Synthesis and Demonstration of Subnanometric iridium Oxide as Highly Efficient and Robust Water Oxidation Catalyst 期刊论文
ACS CATALYSIS, 2017, 卷号: 7, 期号: 9, 页码: 5983-5986
Authors:  Guan, Jingqi;  Li, Deng;  Si, Rui;  Miao, Shu;  Zhang, Fuxiang;  Li, Can
Favorite  |  View/Download:3/0  |  Submit date:2019/06/20
Water Oxidation  Electrocatalysis  Density Functional Calculations  Iridium Oxide  Subnanometer  
Sensing mechanism for a fluorescent off-on chemosensor for cyanide anion 期刊论文
JOURNAL OF LUMINESCENCE, 2016, 卷号: 179, 页码: 203-210
Authors:  Li, Yang;  Chen, Junsheng;  Chu, Tian-Shu
Favorite  |  View/Download:4/0  |  Submit date:2019/06/20
Sensing Mechanism  Density Functional Calculations  Intramolecular Charge Transfer  
Photodissociation and density functional calculations of A(2)M(+) and G(2)M(+) (A = adenine, G = guanine, M = Cu, Ag, and Au) cluster ions 期刊论文
INTERNATIONAL JOURNAL OF MASS SPECTROMETRY, 2016, 卷号: 407, 页码: 118-125
Authors:  Cao, Guo-Jin;  Xu, Hong-Guang;  Xu, Xi-Ling;  Wang, Peng;  Zheng, Wei-Jun
Favorite  |  View/Download:8/0  |  Submit date:2019/06/20
Photodissociation  Density Functional Calculations  Nucleobases  Cluster Cations