title: Lowering energy barriers in surface reactions through concerted reaction mechanisms.
abstract: Any technologically important chemical reaction typically involves a number of different elementary reaction steps consisting of bond-breaking and bond-making processes. Usually, one assumes that such complex chemical reactions occur in a step-wise fashion where one single bond is made or broken at a time. Using first-principles calculations based on density functional theory we show that the barriers of rate-limiting steps for technologically relevant surface reactions are significantly reduced if concerted reaction mechanisms are taken into account.
authors.affiliation: Fakultät für Physik, Universität Duisburg-Essen, Germany.
authors.forename: Sung
authors.initials: S
authors.lastname: Sakong
authors.forename: Christian
authors.initials: C
authors.lastname: Mosch
authors.forename: Ariel
authors.initials: A
authors.lastname: Lozano
authors.forename: H Fabio
authors.initials: HF
authors.lastname: Busnengo
authors.forename: Axel
authors.initials: A
authors.lastname: Gross