Theoretical Analysis of Superior Photodegradation of Methylene Blue by Cerium Oxide/Reduced Graphene Oxide vs. Graphene
Nguyen Hoang Hao,
Phung Thi Lan,
Nguyen Ngoc Ha
et al.
Abstract:Density functional theory and a semi-empirical quantum chemical approach were used to evaluate the photocatalytic efficiency of ceria (CeO2) combined with reduced graphene oxide (rGO) and graphene (GP) for degrading methylene blue (MB). Two main aspects were examined: the adsorption ability of rGO and GP for MB, and the separation of photogenerated electrons and holes in CeO2/rGO and CeO2/GP. Our results, based on calculations of the adsorption energy, population analysis, bond strength index, and reduced dens… Show more
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