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Mn monolayer modified Rh for syngas-to-ethanol conversion: a first-principles study

Fengyu Li,a   De-en Jiang,*b   Xiao Cheng Zengc and   Zhongfang Chen*a  
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Department of Physics, Department of Chemistry, University of Puerto Rico, Rio Piedras Campus, San Juan, USA
E-mail: zhongfangchen@gmail.com
Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, USA
E-mail: jiangd@ornl.gov
Department of Chemistry and Nebraska Center for Materials and Nanoscience, University of Nebraska—Lincoln, Lincoln, USA
Nanoscale, 2012,4, 1123-1129

DOI: 10.1039/C1NR11121C
Received 17 Aug 2011, Accepted 08 Oct 2011
First published online 09 Nov 2011

This article is part of themed collection: Modelling of the nanoscale
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