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). http://dcperera.github.io/files/paper3.pdf
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