Abstract:This study systematically investigates the reaction pathways for the thermal decomposition of formic acid on the anatase TiO2 (101) surface. The investigation was conducted using a single-component artificial force induced reaction method that combines density functional theory calculations. To uncover the entire mechanism at low surface coverage, we explored reaction path networks for three different conditions of the anatase TiO2 (101) surfaces: clean, protonated, and oxygen-deficient surfaces. Previous temp… Show more
Set email alert for when this publication receives citations?
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.