title: Density functional theory calculations of XPS binding energy shift for nitrogen-containing graphene-like structures.
abstract: Our results validate the use of independent DFT predicted BE shifts for defect identification and constraining ambient pressure XPS observations for Me-Nx moieties in pyrolyzed carbon based ORR electrocatalysts. This supports the understanding of such catalysts as vacancy-and-substitution defects in a graphene-like matrix.
authors: Chemical and Nuclear Engineering Department, University of New Mexico, Albuquerque, NM 87131, USA. kartyush@unm.edu
authors: K
authors: K
authors: Artyushkova
authors: B
authors: B
authors: Kiefer
authors: B
authors: B
authors: Halevi
authors: A
authors: A
authors: Knop-Gericke
authors: R
authors: R
authors: Schlogl
authors: P
authors: P
authors: Atanassov