Title

Computational Study of Amino Acid Analogues on Silicene

Faculty Sponsor

Haiying He

College

Arts and Sciences

Department/Program

Physics

Document Type

Poster Presentation

Symposium Date

Spring 3-22-2017

Abstract

A computational study of solvent phase adsorption of different amino-acid analogues on a silicene sheet has been performed using the Gaussian 09 software. Amino acid analogues are CH3-R molecules, where R is the functional group present in amino acid side chains. We have identified three different groups within the 10 amino-acid analogues. For the first group, adsorption to the silicene sheet is driven by Si-O, Si-OH interaction. For the second group, adsorption to the silicene sheet is driven by phenyl and silicene interaction. For the third group, adsorption to the silicene sheet is driven by N-Si interaction. The third group shows the strongest binding to the silicene (e.g. the binding energy Eb=1.7 eV for guanidine). These results shed light on the amino acid lateral chains that are intrinsically more prone to efficiently interact with silicon nanomaterials and those that are responsible for the protein/Si nanomaterial contact.

Biographical Information about Author(s)

Yesukhei Jagvaral is a physics student at Valparaiso University.

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