Published in
Royal Society of Chemistry, Physical Chemistry Chemical Physics, 16(18), p. 10906-10917, 2016
DOI: 10.1039/c6cp00360e
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A systematic study on Pt based, subnanometer-sized alloy cluster catalysts for alkane dehydrogenation: Effects of intermetallic interaction
Journal article published in 2016 by
Andreas Wolfgang Hauser,
Paul R. Horn,
Martin Head-Gordon,
Alexis T. Bell 
This paper is made freely available by the publisher.
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Abstract
The dehydrogenation of propane over platinum-based bimetallic nanoparticles is analyzed by the application of density functional theory to a series of tetrahedral Pt3X cluster models.