DFT–LDA study of NO adsorption on Rh(110) surface
نویسنده
چکیده
We examine the interaction between NO and the Rh(110) surface using ab initio DFT–LDA pseudo-potential plane-wave total energy calculations. Four different adsorption sites for perpendicular NO are considered. The short-bridge site with linear NO is found to be the optimal adsorption configuration. It is also possible for NO to bond parallel to the surface, and this may be the precursor to NO dissociation. © 1998 Published by Elsevier Science B.V. All rights reserved.
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