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Porous high-entropy alloy coatings as highly efficient electrocatalysts for electrocatalytic water splitting 期刊论文
CHEMICAL ENGINEERING JOURNAL, 2024, 卷号: 487, 页码: 9
作者:  Huo, Xiaoran;  Nie, Sainan;  Zhang, Yuanwu;  Zuo, Xiaojiao;  Xu, Xuelu;  Zhang, Nannan;  Huang, Jianqi;  Zhu, Xiaofei
收藏  |  浏览/下载：2/0  |  提交时间：2025/04/27
High-entropy alloy coatings  Electrocatalysts  Plasma spraying  DFT calculation  Hydrogen evolution reaction  Oxygen evolution reaction  
Site preference of the 3d transition metal ions in the Mn4-xFexNb2O9 compounds as revealed by M?ssbauer spectroscopy 期刊论文
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 2024, 卷号: 594, 页码: 7
作者:  Zhang, Bo;  Xue, Jijun;  Cao, Yantao;  Kuang, Qifeng;  Li, Da;  Guo, Hanjie;  Li, ZhenHua;  Tang, Liyun;  Pang, Hua;  Li, Fashen;  Li, Zhiwei
收藏  |  浏览/下载：2/0  |  提交时间：2025/04/27
Site preference  Mossbauer spectroscopy  DFT calculation  Band mixing behavior  
Ferro/Nonferroelectric Vertical Heterostructure Superlattice as a Visible-Light-Responsive Photocatalyst: A DFT Prediction 期刊论文
ACS APPLIED MATERIALS & INTERFACES, 2024, 卷号: 16, 期号: 6, 页码: 7026-7037
作者:  Liu, Jian-An;  Yin, Lichang;  Liu, Gang
收藏  |  浏览/下载：2/0  |  提交时间：2025/04/27
photocatalyst  ferroelectrics  vertical heterostructuresuperlattice  visible-light response  DFT calculation  
Ferro/Nonferroelectric Vertical Heterostructure Superlattice as a Visible-Light-Responsive Photocatalyst: A DFT Prediction 期刊论文
ACS APPLIED MATERIALS & INTERFACES, 2024, 卷号: 16, 期号: 6, 页码: 7026-7037
作者:  Liu, Jian-An;  Yin, Lichang;  Liu, Gang
收藏  |  浏览/下载：2/0  |  提交时间：2025/04/27
photocatalyst  ferroelectrics  vertical heterostructuresuperlattice  visible-light response  DFT calculation  
Competitive adsorption on single-atom catalysts: Mechanistic insights into the aerobic oxidation of alcohols over Co-N-C 期刊论文
JOURNAL OF CATALYSIS, 2019, 卷号: 377, 页码: 283-292
作者:  Huang, Kuntao;  Fu, Hongquan;  Shi, Wen;  Wang, Hongjuan;  Cao, Yonghai;  Yang, Guangxing;  Peng, Feng;  Wang, Qiang;  Liu, Zhigang;  Zhang, Bingsen;  Yu, Hao
收藏  |  浏览/下载：128/0  |  提交时间：2021/02/02
Co-N-C  Single-atom catalyst  Benzyl alcohol oxidation  Kinetics  DFT calculation  
Competitive adsorption on single-atom catalysts: Mechanistic insights into the aerobic oxidation of alcohols over Co-N-C 期刊论文
JOURNAL OF CATALYSIS, 2019, 卷号: 377, 页码: 283-292
作者:  Huang, Kuntao;  Fu, Hongquan;  Shi, Wen;  Wang, Hongjuan;  Cao, Yonghai;  Yang, Guangxing;  Peng, Feng;  Wang, Qiang;  Liu, Zhigang;  Zhang, Bingsen;  Yu, Hao
收藏  |  浏览/下载：150/0  |  提交时间：2021/02/02
Co-N-C  Single-atom catalyst  Benzyl alcohol oxidation  Kinetics  DFT calculation  
Photocatalytic hydrogen production over Aurivillius compound Bi3TiNbO9 and its modifications by Cr/Nb co-doping 期刊论文
APPLIED CATALYSIS B-ENVIRONMENTAL, 2017, 卷号: 217, 页码: 342-352
作者:  Jiang, Lu;  Ni, Shuang;  Liu, Gang;  Xu, Xiaoxiang;  Xu, XX (reprint author), Tongji Univ, Shanghai Key Lab Chem Assessment & Sustainabil, Sch Chem Sci & Engn, 1239 Siping Rd, Shanghai 200092, Peoples R China.
收藏  |  浏览/下载：124/0  |  提交时间：2017/08/17
Bi3tinbo9  Cr/nb Co-doping  Hydrogen Production  Photocatalysis  Dft Calculation  
Efficient photocatalytic hydrogen production over solid solutions Sr1-xBixTi1-xFexO3 (0 <= x <= 0.5) 期刊论文
APPLIED CATALYSIS B-ENVIRONMENTAL, 2017, 卷号: 200, 页码: 412-419
作者:  Lu, Lingwei;  Lv, Meilin;  Wang, Di;  Liu, Gang;  Xu, Xiaoxiang;  Xu, XX (reprint author), Tongji Univ, Dept Chem, Shanghai Key Lab Chem Assessment & Sustainabil, 1239 Siping Rd, Shanghai 200092, Peoples R China.
收藏  |  浏览/下载：126/0  |  提交时间：2017/08/17
Solid Solution  Srtio3  Photocatalytst  Water Splitting  Dft Calculation  
Catalytic Epoxidation Reaction over N-Containing sp(2) Carbon Catalysts 期刊论文
Acs Catalysis, 2014, 卷号: 4, 期号: 5, 页码: 1261-1266
作者:  W. J. Li;  Y. J. Gao;  W. L. Chen;  P. Tang;  W. Z. Li;  Z. J. Shi;  D. S. Su;  J. G. Wang;  D. Ma
收藏  |  浏览/下载：111/0  |  提交时间：2014/07/03
Nitrogen-doped Graphene  Carbon Catalyst  Trans-stilbene  Epoxidation  Dft Calculation  Hydrogen-peroxide  Oxidative Dehydrogenation  Selective Oxidation  Nitride Polymers  Graphene Oxide  Active-sites  Doped Carbon  Styrene  Boron  Nanotubes  
Density function study of H(2) adsorption on LiB (010) surface 期刊论文
Physica B-Condensed Matter, 2010, 卷号: 405, 期号: 7, 页码: 1792-1795
作者:  W. Haiping;  W. Xuemin;  G. Fangfang;  Z. Mingjie;  W. Weidong;  L. Tiecheng
Adobe PDF(230Kb)  |  收藏  |  浏览/下载：76/0  |  提交时间：2012/04/13
Density Functional Theory  Lib (010)  Adsorption Energy  Electronic  Structure  1st-principles Calculation  Optical-properties  Crystal-structure  Atomic-hydrogen  Ab-initio  Dft  Deuterium  Tio2