ArticleRSC advances2024
Theoretical investigation of ozone adsorption on metal free element doped boron nitride monolayers.
Article in RSC advances, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.
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Who cites it
2 citing papers in PubMed.
- Insights into reaction mechanisms and kinetic characteristics of electron-beam irradiation-induced decomposition of 2,3,7,8-TCDD: a ReaxFF-based MD simulation study.Journal of molecular modeling · 2026Article
- Theoretical Investigation of the Adsorption Behavior of Caffeine, Nicotine, and Dopamine Molecules Using 2D Monolayers.ACS omega · 2026Article
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2 authors.
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Abstract
Ozone in the troposphere poses significant environmental and health risks, contributing to global warming and being linked to respiratory diseases, making it critical to find effective methods to remove ozone from the atmosphere. This study investigates the adsorption of ozone on boron nitride (BN) monolayers doped with metal-free elements, specifically carbon, silicon, oxygen, and phosphorus, using first-principles calculations based on Density Functional Theory (DFT). Our results showed that ozone adsorbed on boron nitride doped with carbon exhibited physisorption and had an adsorption energy of -0.272 eV. Ozone adsorbed on silicon-doped boron nitride dissociated into an oxygen atom and an O
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