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Physical Chemistry Chemical Physics : PCCP|November 7, 2024
A theoretical investigation on the OER and ORR activity of graphene-based TM-N<sub>3</sub> and TM-N<sub>2</sub>X (X = B, C, O, P) single atom catalysts by density functional theory calculationsJiaxiang Wu, Erjun Kan, Cheng ZhanNanoscale|October 23, 2013
Stability of graphitic-like zinc oxide layers under carriers doping: a first-principles studyErjun Kan, Kaiming Deng, Fang WuInorganic Chemistry|February 12, 2010
On the importance of the interplaquette spin exchanges in Na3RuO4: density functional theory analysis of the spin exchange and magnetic propertiesFang Wu, Erjun Kan, Myung-Hwan WhangboChemical Science|September 9, 2024
Nanoconfined tandem three-phase photocatalysis for highly selective CO<sub>2</sub> reduction to ethanolHailing Huo, Ting Hu, Zhiqing Zhong, et al.Chemistry, an Asian Journal|November 5, 2024
Optimized Carbon Coupling for Enhanced Ethylene Production via a Unique Single-Atom-Substrate Synergy Mechanism within Photocatalytic ProcessesHongbin Xing, Tingting Xu, Xin Meng, et al.Physical Chemistry Chemical Physics : PCCP|April 15, 2025
Theoretical design of graphene-C<sub>2</sub>N<sub>1</sub> composites exhibiting intrinsic magnetic, superhard, and lightweight propertiesHuanle Zhang, Haiping Wu, Erjun Kan, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|May 17, 2023
Overall Photocatalytic CO<sub>2</sub> Reduction over Heterogeneous Semiconductor PhotocatalystsHailing Huo, Fang Wu, Erjun Kan, et al.Physical Chemistry Chemical Physics : PCCP|November 10, 2025
Spin-dominated oxygen activation and reduction mechanism on a Ru-N-C single-atom-catalystZixian Zhao, Mingyuan Yu, Erjun Kan, et al.Physical Chemistry Chemical Physics : PCCP|August 2, 2023
Superhard bulk C<sub>4</sub>N<sub>3</sub> compounds with metal-free magnetism assembled from two-dimensional C<sub>4</sub>N<sub>3</sub>: a first-principles studyHaiping Wu, Yuelin Li, Yan Qian, et al.Journal of Physics. Condensed Matter : an Institute of Physics Journal|October 18, 2012
First-principles investigations on the magnetic structure of α-NaMnO₂Fang Wu, Guanxia Yu, Ding Xu, et al.Pageof 147