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Protonation states in a cobalt-oxide catalyst for water oxidation: fine comparison of ab initio molecular dynamics and X-ray absorption spectroscopy results

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Istituto di Struttura della Materia (ISM) del Consiglio Nazionale delle Ricerche, Via Salaria Km 29.5, CP 10, 00016 Monterotondo Stazione, Italy
E-mail: giuseppe.mattioli@ism.cnr.it
Dept. of Physics, “Sapienza” Università di Roma, P. le A. Moro 2, 00185 Roma, Italy
Dept. of Physics, Freie Universität Berlin, Arnimallee 14, 14195 Berlin, Germany
Dipartimento di Chimica, Ingegneria Chimica e Materiali, Università de L'Aquila, Località Campo di Pile, 67100 L'Aquila, Italy
E-mail: leonardo.guidoni@univaq.it
Phys. Chem. Chem. Phys., 2011,13, 15437-15441

DOI: 10.1039/C1CP21776C
Received 01 Jun 2011, Accepted 14 Jul 2011
First published online 01 Aug 2011
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