Computational Study of H2O Adsorption, Hydrolysis, and Water Splitting on (ZnO)3 Nanoclusters Deposited on Graphene and Graphene Oxides
Published in ACS Omega, 2023
Recommended citation: Computational Study of H2O Adsorption, Hydrolysis, and Water Splitting on (ZnO)3 Nanoclusters Deposited on Graphene and Graphene Oxides Duwage C. Perera and Jayendran C. Rasaiah ACS Omega 2023 8 (35), 32185-32203 DOI: 10.1021/acsomega.3c04882 http://dcperera.github.io/files/paper8.pdf
We investigated the water-splitting reaction to produce hydrogen as a clean energy source using density functional theory. In this study, we used a ZnO-graphene oxide cluster system and studied the detailed reaction path toward hydrogen production using two water molecules.
Recommended citation: Computational Study of H2O Adsorption, Hydrolysis, and Water Splitting on (ZnO)3 Nanoclusters Deposited on Graphene and Graphene Oxides Duwage C. Perera and Jayendran C. Rasaiah ACS Omega 2023 8 (35), 32185-32203 DOI: 10.1021/acsomega.3c04882, https://pubs.acs.org/doi/full/10.1021/acsomega.3c04882