Exchange Functionals and Basis Sets for Density Functional Theory Studies of Water Splitting on Selected ZnO Nanocluster Catalysts
Published in ACS omega, 2022
Recommended citation: DC Perera, JC Rasaiah. (2022). "Exchange Functionals and Basis Sets for Density Functional Theory Studies of Water Splitting on Selected ZnO Nanocluster Catalysts." ACS omega. 1(3).
This paper is about the structural and electronic properties of small ZnO clusters. Moreover, this paper discussed the use of ZnO nanoclusters as a potential catalyst for water-splitting reactions.
Recommended citation: Exchange Functionals and Basis Sets for Density Functional Theory Studies of Water Splitting on Selected ZnO Nanocluster Catalysts DC Perera, JC Rasaiah - ACS omega, 2022,https://doi.org/10.1021/acsomega.1c05666