title: On the role of the surface oxygen species during A-H (A = C, N, O) bond activation: a density functional theory study.
abstract: During A-H (A = C, N, O) bond cleavage on O* or OH* pre-covered (111) surfaces, the oxygen species play the role of modifying the reaction energy by changing the species involved in the initial and final states of the reaction.
authors.affiliation: SUNCAT Center for Interface Science & Catalysis, Department of Chemical Engineering, Stanford University, Stanford, CA 94305, USA. studt@slac.stanford.edu.
authors.forename: Jong Suk
authors.initials: JS
authors.lastname: Yoo
authors.forename: Tuhin S
authors.initials: TS
authors.lastname: Khan
authors.forename: Frank
authors.initials: F
authors.lastname: Abild-Pedersen
authors.forename: Jens K
authors.initials: JK
authors.lastname: Nørskov
authors.forename: Felix
authors.initials: F
authors.lastname: Studt