Two-dimensional Graphene Superlattice Made with Partial Hydrogenation

TL;DR

This study investigates how partial hydrogenation patterns on graphene influence its electronic properties, revealing potential for fabricating quantum dots and heterojunctions without physical cutting.

Contribution

It demonstrates that the 2D hydrogenation pattern significantly affects graphene's electronic structure and band gap, offering a new approach for device fabrication.

Findings

Hydrogenation pattern edges are crucial for band gap opening.

The band gap depends on pattern shape, size, and periodicity.

Potential application in fabricating quantum dots and heterojunctions.

Abstract

Electronic properties of two-dimensional graphene superlattice made with partial hydrogenation were thoroughly studied via Density Functional Tight Binding approach (DFTB) which incorporates the tight-binding method into the density functional formalism. The two-dimensional (2-d) pattern of hydrogen atoms on graphene was found to have great effects on electronic structures of graphene superlattice. In particular, the edges of the 2-d pattern, armchair or zigzag, are essential for the energy band gap opening, and the energy band gap sensitively depends on the shape, size, and the 2-d periodicity of the pattern. Based on these findings, we suggested that the 2-d graphene superlattice may be used in fabricating quantum dots and 2-d heterojunctions on graphene without the need for cutting or etching.