Water Oxidation on MnOx and IrOx: Why Similar Performance?
Artikel i vetenskaplig tidskrift, 2013

The critical steps in water oxidation at a binuclear Mn(II–IV) oxide site are revisited. Ideal stabilities of intermediates are confirmed by comparing to results for a binuclear Ir(III–V) system. The latter in turn is known to be an excellent water oxidation catalyst. The inefficiency of the binuclear Mn(II–IV) site is owing to the high activation energy for the chemical step whereby MnIV═O double bonds on adjacent sites are broken prior to forming the MnIII—O—O—MnIII peroxy moiety. A rationale for Mn(II–IV)—Mn(III–V) mixed oxidation state for water oxidation catalysis, analogous to mixed transition metal oxide systems, is offered. Possible virtues of the kinetic stability of the binuclear MnIV═O moiety are discussed, utilizing its oxidizing power by sidestepping oxygen evolution.

Density Functional Theory

Electrocatalysis

Nanomaterials

Oxygen

Författare

Michael Busch

Göteborgs universitet

Elisabet Ahlberg

Göteborgs universitet

Itai Panas

Chalmers, Kemi- och bioteknik, Oorganisk miljökemi

Journal of Physical Chemistry C

1932-7447 (ISSN) 1932-7455 (eISSN)

Vol. 117 1 288-292

Drivkrafter

Hållbar utveckling

Styrkeområden

Nanovetenskap och nanoteknik

Energi

Materialvetenskap

Ämneskategorier

Kemiska processer

Materialkemi

Teoretisk kemi

DOI

10.1021/jp308982s