Metal-Insulator Transition and Heterostructure Formation by Glycines Self-Assembled on Defect-Patterned Graphene

F. Ersan, O. Üzengi Aktürk, E. Aktürk, S. Ciraci

Research output: Contribution to journalArticlepeer-review

29 Scopus citations

Abstract

This study unveils critical physical and chemical processes taking place at the interface between an amino acid, glycine, and defected graphene. Although glycine interacts weakly through van der Waals attraction with pristine graphene, it can set rather strong bonding at the close proximity of low-coordinated C atoms of single and triple vacancies and also at the edges of nanoribbons. The adsorption of a glycine molecule first leads to a reconstruction of the defect through a concerted process, which in turn induces magnetic metal-nonmagnetic insulator transition. This way, glycine can be pinned at the defect site with well-defined atomic configuration and electronic structure. In particular, libration frequency of the adsorbed glycine is attributed to significant restoring forces, which is essential for the self-assembly of glycines. Organic overlayer produced by self-assembled glycines on defect-patterned graphene constitutes a junction (heterostructure) with bilateral electronic and optical properties and offers novel device functions from biographene interfaces. These predictions are obtained from first-principles calculations using density functional theory.

Original languageEnglish
Pages (from-to)14598-14605
Number of pages8
JournalJournal of Physical Chemistry C
Volume122
Issue number26
DOIs
StatePublished - 5 Jul 2018
Externally publishedYes

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