Bulletin of the American Physical Society
APS March Meeting 2018
Monday–Friday, March 5–9, 2018; Los Angeles, California
Session H03: Supported Nano-Clusters IV: Cluster Catalysis and Electrocatalysis
2:30 PM–4:54 PM,
Tuesday, March 6, 2018
LACC Room: 150C
Sponsoring Unit: DCP
Chair: Beatriz Roldan Cuenya, Univ of Central Florida
Abstract: H03.00001 : Supported Au nanoparticles: good for methanol decomposition or formation?*
2:30 PM–3:06 PM
(Department of Physics, University of Central Florida)
In the three decades since Haruta’s discovery of the unexpected reactivity of oxide-supported Au nanoparticles, we have come a long way in the application of nanoparticles as catalysts for a variety of reactions. Yet, the phenomenon is far from being fully understood as a number of factors control both the reactivity and the product selectivity of these nanocatalysts: the size, the shape, the support, the coadsorbates are all found to play a role. In this talk, I will compare and contrast the local electronic structural and geometric environments for the active sites on Au nanoparticles, on three different supports: single-layer MoS 2 , single-layer h-BN and the TiO 2 (110) surface. I will show that while the interface plays a major role in methanol decomposition  and CO oxidation facilitated by Au nanoparticles supported on TiO 2 (110), the same is not the case when these nanoparticles are supported on single-layer MoS 2 , single- layer h-BN. In fact, the Au/MoS 2 composite favors the formation of methanol (and higher alcohols) from syn gas . I will trace these differences to the Au-support interaction, the ensuing charge transfer, the role of vacancies, and the extent to which the system frontier orbitals are shifted towards the Fermi level.\\ \\  S. Hong and T. S. Rahman, JACS, 135, 7629 (2013)\\  T. B. Rawal, D. Le, and T. S. Rahman, J. Phys.: Condens. Matter 29 415201 (2017).
*Work supported in part by DOE grant DE-FG02- 07ER15842.
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