Article history: Recent experimental studies have found that phosphorene, the two-dimensional counterpart of black Received 24 May 2017 phosphorus, is more biological-friendly, in comparison with graphene, for the design of bio-integrated Received in revised form 30 June 2017 electronics based devices for biomedical applications. Following this research line, we theoretically inves- Accepted 29 August 2017 tigate by ﬁrst principle calculations, accounting for van der Waals effects, the interactions between Available online 1 September 2017 phosphorene and typical amino acids (nonpolar, aromatic, positively charged and negatively charged). Testing different possible molecular orientations adsorption calculations have been done. Structural Keywords: analysis, Löwdin electron population analysis and the study of the hydrophobic effect upon adsorption Amino acid orientation were carried out in order to reveal the nature of the composite system interactions. Results Biomolecules show that amino acid molecules physisorb, mediated by an electron transfer process, on the phosphorene Adsorption surface with a minimum disruption of their structure. Furthermore, the hydrophilic nature of phospho- Phosphorene Hydrophobic dipole rene dictates the more energetically preferred adsorbed amino acid orientation. Ultimately, the nature of these interactions manifests the biological-friendly characteristic of phosphorene and its potential to be used as part of bioinorganic interfaces. © 2017
Applied Surface Science – Elsevier
Published: Jan 1, 2018
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