Energetics of Water Oxidation Catalyzed by Cobalt Oxide Nanoparticles: Assessing the Accuracy of DFT and DFT plus U Approaches against Coupled Cluster Methods
Title | Energetics of Water Oxidation Catalyzed by Cobalt Oxide Nanoparticles: Assessing the Accuracy of DFT and DFT plus U Approaches against Coupled Cluster Methods |
Publication Type | Journal Article |
Year of Publication | 2013 |
Authors | Kwapien, K, Piccinin, S, Fabris, S |
Journal | Journal of Physical Chemistry Letters |
Volume | 4 |
Pagination | 4223–4230 |
Date Published | dec |
DOI | 10.1021/jz402263d |