Work

Density functional theory calculations of XPS binding energy shift for nitrogen-containing graphene-like structures

Year: 2013

Type: article

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.

Source: Chemical Communications

DOI: 10.1039/c3cc40324f

Authors: K. Artyushkova, B. Kiefer, B. Halevi, A. Knop-Gericke, R. Schlogl, P. Atanassov

Institutions: University of New Mexico, New Mexico State University, Max Planck Society, Fritz Haber Institute of the Max Planck Society

Language: English

Topic: Electron and X-Ray Spectroscopy Techniques

Subfield: Surfaces, Coatings and Films

Field: Materials Science

Domain: Physical Sciences

Open Access status: hybrid

OpenAlex ID: W2127792063

FWCI: 12.47

Cites: 31

Cited by: 433

Related to: 10