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Electrochemical reduction of CO2 on single-atom catalysts anchored on N-terminated TiN (1 1 1): Low overpotential and high selectivity Journal article
Applied Surface Science, 2022,Volume: 602
Authors:  Wu, Rucheng;  Liu, Di;  Geng, Jiazhong;  Bai, Haoyun;  Li, Feifei;  Zhou, Pengfei;  Pan, Hui
Favorite |  | TC[WOS]:0 TC[Scopus]:0 | Submit date:2022/08/02
Density-functional-theory Calculations  Electrochemical Co2 Reduction Reaction (e-Co2rr)  N-terminated Tin  Single-atom Catalysts (Sacs)  
High-throughput identification of highly active and selective single-atom catalysts for electrochemical ammonia synthesis through nitrate reduction Journal article
Nano Energy, 2022,Volume: 100
Authors:  Wang, Shuo;  Gao, Haixing;  Li, Lei;  Hui, Kwan San;  Dinh, Duc Anh;  Wu, Shuxing;  Kumar, Sachin;  Chen, Fuming;  Shao, Zongping;  Hui, Kwun Nam
Favorite |  | TC[WOS]:4 TC[Scopus]:2 | Submit date:2022/08/02
Ammonia Synthesis  Electrocatalysis  High-throughput Calculations  Nitrate Reduction  Single-atom Catalysts  
Distinct Crystal-Facet-Dependent Behaviors for Single-Atom Palladium-On-Ceria Catalysts: Enhanced Stabilization and Catalytic Properties Journal article
Advanced Materials, 2022,Volume: 34,Issue: 16
Authors:  Hu, Botao;  Sun, Kaian;  Zhuang, Zewen;  Chen, Zheng;  Liu, Shoujie;  Cheong, Weng Chon;  Chen, Cheng;  Hu, Mingzhen;  Cao, Xing;  Ma, Junguo;  Tu, Renyong;  Zheng, Xusheng;  Xiao, Hai;  Chen, Xiao;  Cui, Yi;  Peng, Qing;  Chen, Chen;  Li, Yadong
Favorite |  | TC[WOS]:8 TC[Scopus]:11 | Submit date:2022/05/04
Crystal-facets  N-alkylation Reaction  Oxygen Defects, Pd–ceo 2  Single-atom Catalysis  
Two-Dimensional Dirac Nodal Line Carbon Nitride to Anchor Single-Atom Catalyst for Oxygen Reduction Reaction Journal article
ChemSusChem, 2022,Volume: 15,Issue: 6
Authors:  Li, Feifei;  Ai, Haoqiang;  Shen, Shiying;  Geng, Jiazhong;  Ho Lo, Kin;  Pan, Hui
Favorite |  | TC[WOS]:3 TC[Scopus]:3 | Submit date:2022/04/06
Carbon Nitride  Density Functional Calculations  Electrocatalysis  Oxygen Reduction Reaction  Semimetals  
Mutual modulation via charge transfer and unpaired electrons of catalytic sites for the superior intrinsic activity of N2 reduction: From highthroughput computation assisted with a machine learning perspective Journal article
Journal of Materials Chemistry A, 2022,Volume: 10,Issue: 10,Page: 5470-5478
Authors:  Shu, Zheng;  Yan, Hejin;  Chen, Hongfei;  Cai, Yongqing
Favorite |  | TC[WOS]:4 TC[Scopus]:3 | Submit date:2022/05/17
Computational Screening of Single Atoms Anchored on Defective Mo2CO2 MXene Nanosheet as Efficient Electrocatalysts for the Synthesis of Ammonia Journal article
Advanced Engineering Materials, 2021,Volume: 23,Issue: 10,Page: 2100405
Authors:  Wang, Shuo;  Li, Lei;  Hui, K.S.;  Bin, Feng;  Zhou, Wei;  Fan, Xi;  Zalnezhad, E.;  Li, Jing;  Hui, Kwun Nam
Favorite |  | TC[WOS]:5 TC[Scopus]:5 | Submit date:2021/09/10
Density Functional Theory Calculations  Electrocatalysis  Mxene  Nitrogen Reduction Reaction  Single-atom Catalysts  
Computational Screening of Single Atoms Anchored on Defective Mo2CO2 MXene Nanosheet as Efficient Electrocatalysts for the Synthesis of Ammonia Journal article
Advanced Engineering Materials, 2021,Page: 2100405(1)-2100405(8)
Authors:  Wang, S.;  Li, L.;  Hui, K.S.;  Bin, F.;  Zhou, W.;  Fan, X.;  Zalnezhad, E. ;  Li, J.;  Hui, K. N.
Favorite |  | TC[WOS]:0 TC[Scopus]:0 | Submit date:2022/08/25
nitrogen reduction reaction  MXene  Mo vacancies  selectivity  
Single transition metal atom catalysts on Ti2CN2 for efficient CO2 reduction reaction Journal article
Int. J. Hydrogen Energy, 2021,Page: 12886-12896
Authors:  Li, FF;  Ai, HQ;  Shi, C;  Lo, K. H.;  Pan, H.
Favorite |  | TC[WOS]:0 TC[Scopus]:0 | Submit date:2022/07/27
Single TransitiOn Metal Atom Catalysts On Ti2cn2 For Efficient Co2 reductiOn reactiOn  
Single transition metal atom catalysts on Ti2CN2 for efficient CO2 reduction reaction Journal article
International Journal of Hydrogen Energy, 2021,Volume: 46,Issue: 24,Page: 12886-12896
Authors:  Feifei Li;  Haoqiang Ai;  Changmin Shi;  Kin Ho Lo;  Hui Pan
Favorite |  | TC[WOS]:16 TC[Scopus]:16 | Submit date:2021/03/09
Co2 Reduction Reaction  Dft Calculations  Mxenes  N- Functionalized Ti2c  Single Atom Catalysts (Sacs)  
Theoretical Screening of Single Atoms Supported on Two-Dimensional Nb2CN2 for Nitrogen Fixation Journal article
ACS Appl. Nano Mater., 2020,Page: 11274-11281
Authors:  Kong, Y. C.;  Liu, D.;  Ai, H. Q.;  Lo, K. H.;  Wang, S. P.;  Pan, H.
Favorite |  | TC[WOS]:0 TC[Scopus]:0 | Submit date:2022/07/27
Theoretical Screening Of Single Atoms Supported On two-dimensiOnal Nb2cn2 For Nitrogen fixatiOn