Chemical functionalization of graphene

TL;DR

This paper reviews experimental and theoretical insights into the chemical functionalization of graphene, highlighting principles, limitations, and specific case studies involving oxygen, fluorine, and hydrofluoric acid.

Contribution

It formulates general principles of graphene functionalization and discusses the unreachability of full coverage with complex groups, supported by simulations.

Findings

100% coverage with complex groups is generally unreachable

Fluorine can potentially destroy graphene nanoribbons

Step-by-step simulations of oxygen and hydrofluoric acid functionalization

Abstract

Experimental and theoretical results on chemical functionalization of graphene are reviewed. Using hydrogenated graphene as a model system, general principles of the chemical functionalization are formulated and discussed. It is shown that, as a rule, 100% coverage of graphene by complex functional groups (in contrast with hydrogen and fluorine) is unreachable. A possible destruction of graphene nanoribbons by fluorine is considered. The functionalization of infinite graphene and graphene nanoribbons by oxygen and by hydrofluoric acid is simulated step by step.