Journal of Nanomaterials & Molecular NanotechnologyISSN: 2324-8777

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Research Article, J Nanomater Mol Nanotechnol Vol: 6 Issue: 5

Adsorption of Ethylene and Acetylene Molecules on Ag (110) Surface

Elaheh Mohebbi*

Department of Chemical Sciences, University of Padova, Padova, Italy

*Corresponding Author : Elaheh Mohebbi
Department of Chemical Sciences, University of Padova, Padova, Italy
E-mail: [email protected]

Received: June 08, 2017 Accepted: September 09, 2017 Published: September 15, 2017

Citation: Mohebbi E (2017) Adsorption of Ethylene and Acetylene Molecules on Ag (110) Surface. J Nanomater Mol Nanotechnol 6:5. doi: 10.4172/2324-8777.1000231

Abstract

The adsorption of ethylene and acetylene molecules on Ag (110) surface has been investigated by using density-functional theory with and without consideration of dispersion (van der Waals interactions) between molecules and the surface. We find that both molecules prefer to adsorb on atop site of the step edge in comparison to the short bridge, long bridge and hollow sites. Our results indicate the weak interaction between adsorbates and substrate and the molecular geometry are almost unaffected by adsorption. The new results including dispersion in our calculations for the most stable site (atop) of ethylene and acetylene molecules on Ag (110) surface; show a good agreement with experimental adsorption energy especially for acetylene.

Keywords: Density functional calculations; Dispersion; Catalysis; Chemisorption; Ag (110) surface; Ethylene; Acetylene

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