@article{3359002612014c949f08575c77b5bc5f,
title = "A computational exploration of CO2 reduction: Via CO dimerization on mixed-valence copper oxide surface",
abstract = "The catalytic role of Cu ions in CO2 reduction on oxide-derived Cu has been elusive. In the presence of oxygen vacancy, CO⋯CO dimerization is predicted to be thermodynamically favorable with an accessible barrier on Cu4O3(202). The material's mixed valency is responsible for stabilizing the charge-separated (OC)δ+(CO)δ- intermediate.",
author = "Chang, {Chun Chih} and Li, {Elise Y.} and Tsai, {Ming Kang}",
note = "Funding Information: This study was supported by the Ministry of Science and Technology of Taiwan (106-2113-M-003-012 and 106-2113-M-003-010-MY3). The authors are grateful for the computational resources provided by the National Center for High-Performance Computing of Taiwan and the Center for Cloud Computing in National Taiwan Normal University. Publisher Copyright: {\textcopyright} 2018 the Owner Societies.",
year = "2018",
doi = "10.1039/c8cp00592c",
language = "English",
volume = "20",
pages = "16906--16909",
journal = "Physical Chemistry Chemical Physics",
issn = "1463-9076",
publisher = "Royal Society of Chemistry",
number = "25",
}