Plasma Catalysis Modeling: How Ideal Is Atomic Hydrogen for Eley-Rideal?

ABSTRACT: Plasma catalysis is an emerging technology, but a lot of questions about the underlying surface mechanisms remain unanswered. One of these questions is how important Eley-Rideal (ER) reactions are, next to Langmuir-Hinshelwood reactions. Most plasma catalysis kinetic models predict ER reactions to be important and sometimes even vital for the surface chemistry. In this work, we take a critical look at how ER reactions involving H radicals are incorporated in kinetic models describing CO₂ hydrogenation and NH₃ synthesis. To this end, we construct potential energy surface (PES) intersections, similar to elbow plots constructed for dissociative chemisorption. The results of the PES intersections are in agreement with ab initio molecular dynamics (AIMD) findings in

SUBMITTER: Michiels R 

PROVIDER: S-EPMC11247482 | biostudies-literature | 2024 Jul

REPOSITORIES: biostudies-literature