https://www.selleckchem.com/pr....oducts/pf-03084014-p
Lack of band gaps hinders application of graphene in the fields like logic, optoelectronics, and sensing despite its various extraordinary properties. In this work, we have done systematic investigations on direct band gap opening in graphene by hydrogenation and fluorination of carbon vacancies using the density functional theory computational approach. We have seen that although a carbon vacancy (void) opens an indirect band gap in graphene, it also creates unwanted mid gap (trap) states, which is attributed to unbound
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