NO adsorption on Cu(110) and O(2 × 1)/Cu(110) surfaces from density functional theory calculations

Author:

Brión-Ríos Antón X.12342,Sánchez-Portal Daniel12356,Cabrera-Sanfelix Pepa12378

Affiliation:

1. Donostia International Physics Center (DIPC)

2. Donostia-San Sebastián E-20018

3. Spain

4. Departamento de Física de Materiales UPV/EHU

5. Centro de Física de Materiales (CFM-MPC) CSIC-UPV/EHU

6. Donostia-San Sebastián

7. IKERBASQUE

8. Basque Foundation for Science

Abstract

We have investigated NO adsorption on Cu(110) and O(2 × 1)/Cu(110) surfaces. On the clean Cu(110), consistently with experiments, dimer formation along [11̅0] is favoured due to the covalent NO–ON interaction. On the O(2 × 1)/Cu(110), NO attaches to two Cu atoms on adjacent Cu–O rows, distorting them.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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