Structural and Electronic Property Study of (ZnO) _n , n ≤ 168: Transition from Zinc Oxide Molecular Clusters to Ultrasmall Nanoparticles

Journal Article · Thu Sep 01 00:00:00 EDT 2016 · Journal of Physical Chemistry. C

DOI:https://doi.org/10.1021/acs.jpcc.6b06730· OSTI ID:1388006

Chen, Mingyang ^[1]; Straatsma, T. P. ^[1]; Fang, Zongtang ^[2]; Dixon, David A. ^[2]

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1. National Center for Computational Sciences, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, United States
2. Department of Chemistry, The University of Alabama, Tuscaloosa, Alabama 35487, United States

• Research Organization: Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF); Energy Frontier Research Centers (EFRC) (United States). Center for Understanding and Control of Acid Gas-induced Evolution of Materials for Energy (UNCAGE-ME)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES)
• DOE Contract Number: SC0012577
• OSTI ID: 1388006
• Journal Information: Journal of Physical Chemistry. C, Vol. 120, Issue 36; Related Information: UNCAGE-ME partners with Georgia Institute of Technology (lead); Lehigh University; Oak Ridge National Laboratory; University of Alabama; University of Florida; University of Wisconsin; Washington University in St. Louis; ISSN 1932-7447
• Publisher: American Chemical Society
• Country of Publication: United States
• Language: English

Related Subjects

catalysis (heterogeneous)
defects
membrane
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materials and chemistry by design
synthesis (novel materials)
synthesis (self-assembly)
synthesis (scalable processing)