Published Research - Department of Chemistry
Date of this Version
We present density-functional theory calculations of the dehydrogenation of methane and CHx (x = 1 – 3) on a Cu/Ni(111) surface, where Cu atoms are substituted on the Ni surface at a coverage of 1/4 monolayer.
Published in THE JOURNAL OF CHEMICAL PHYSICS 131, 2009. Copyright © 2009 American Institute of Physics. Used by permission.