Controlled Growth of Ceria Nanoarrays on Anatase Titania Powder: A Bottom-up Physical Picture

Kim, Hyun You; Hybertsen, Mark S.; Liu, Ping

doi:10.1021/acs.nanolett.6b04218

Title: Controlled Growth of Ceria Nanoarrays on Anatase Titania Powder: A Bottom-up Physical Picture

Journal Article · Mon Dec 05 04:00:00 UTC 2016 · Nano Letters

DOI: https://doi.org/10.1021/acs.nanolett.6b04218 · OSTI ID:1358029

^[1]; Hybertsen, Mark S. ^[2];

^[2]

Chungnam National Univ., Daejeon (Korea, Republic of). Dept. of Materials Science and Engineering
Brookhaven National Lab. (BNL), Upton, NY (United States). Center for Functional Nanomaterials

The leading edge of catalysis research motivates physical understanding of the growth of nanoscale oxide structures on different supporting oxide materials that are themselves also nanostructured. This research opens up for consideration a diverse range of facets on the support material, versus the single facet typically involved in wide-area growth of thin films. In this paper, we study the growth of ceria nanoarchitectures on practical anatase titania powders as a showcase inspired by recent experiments. Density functional theory (DFT)-based methods are employed to characterize and rationalize the broad array of low energy nanostructures that emerge. Using a bottom-up approach, we are able to identify and characterize the underlying mechanisms for the facet-dependent growth of various ceria motifs on anatase titania based on formation energy. These motifs include 0D clusters, 1D chains, 2D plates, and 3D nanoparticles. Finally, the ceria growth mode and morphology are determined by the interplay of several factors including the role of the common cation valence, the interface template effect for different facets of the anatase support, enhanced ionic binding for more compact ceria motifs, and the local structural flexibility of oxygen ions in bridging the interface between anatase and ceria structures.

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Research Organization:: Brookhaven National Lab. (BNL), Upton, NY (United States); Chungnam National Univ., Daejeon (Korea, Republic of)

Sponsoring Organization:: USDOE Office of Science (SC); National Research Foundation of Korea (NRF) (Korea, Republic of)

Grant/Contract Number:: SC0012704; AC02-05CH11231

OSTI ID:: 1358029

Report Number(s):: BNL--113863-2017-JA; KC0403020

Journal Information:: Nano Letters, Journal Name: Nano Letters Journal Issue: 1 Vol. 17; ISSN 1530-6984

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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36 MATERIALS SCIENCE
Oxide interfaces
ceria
density functional theory calculations
epitaxial growth
formation energy
nanostructure growth
titania

Title: Controlled Growth of Ceria Nanoarrays on Anatase Titania Powder: A Bottom-up Physical Picture

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