L2,3-edges absorption spectra of a 2D complex system: a theoretical modelling

Author:

Carlotto S.1234,Sambi M.1234,Sedona F.1234,Vittadini A.534ORCID,Bartolomé J.6789,Bartolomé F.6789,Casarin M.12345

Affiliation:

1. Dipartimento di Scienze Chimiche

2. Università degli Studi di Padova

3. 35131 Padova

4. Italy

5. Istituto di Chimica della Materia Condensata e di Tecnologie per l'Energia – ICMATE

6. Instituto de Ciencia de Materiales de Aragón and Departamento de Física de la Materia Condensada

7. Universidad de Zaragoza – CSIC

8. 50009 Zaragoza

9. Spain

Abstract

Ground state theoretical outcomes pertaining to FePc (I) and FePc(η2-O2) (II) provide an intimate understanding of the electron transfer pathway ruling the catalytic oxygen reduction reaction of I on Ag(110).

Funder

Università degli Studi di Padova

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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