Energetics of water oxidation catalyzed by cobalt oxide nanoparticles: Assessing the accuracy of DFT and DFT+U approaches against coupled cluster Methods

Journal of Physical Chemistry Letters

Volumn 4, Issue 24, 2013, Pages 4223-4230

  Kwapien, Karolina ^a   Piccinin, Simone ^a   Fabris, Stefano ^a  

^a IOM CNR LABORATORIO TASC   (Italy)

Author keywords

catalysis; cobalt oxide; coupled cluter quantum chemistry; electronic repulsion; water oxidation

Indexed keywords

COBALT OXIDE NANOPARTICLES; COBALT OXIDES; ELECTRONIC AND STRUCTURAL PROPERTIES; ELECTRONIC REPULSION; EXCHANGE AND CORRELATION FUNCTIONALS; QUANTUM CHEMISTRY CALCULATIONS; QUANTUM CHEMISTRY METHODS; WATER OXIDATION;

CATALYSIS; CATALYSTS; COBALT; NANOPARTICLES; NUMERICAL METHODS; OXIDATION; QUANTUM CHEMISTRY; THERMODYNAMICS;

COBALT COMPOUNDS;

EID: 84890938411     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz402263d     Document Type: Article

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