On Graphene Hydrate

TL;DR

This study uses first-principles calculations to demonstrate that graphene can form a stable, two-dimensional carbohydrate hydrate in aqueous environments, leading to a semi-metal-insulator transition with potential electronic applications.

Contribution

It reveals a novel hydration-induced carbohydrate formation on graphene and its electronic transition, expanding potential applications in graphene-based electronics.

Findings

Hydration favors carbohydrate formation on graphene

Hydrogen atoms attach on one side, hydroxyl groups on the other

Graphene undergoes a semi-metal-insulator transition upon hydration

Abstract

Using first-principles calculations, we show that the formation of carbohydrate directly from carbon and water is energetically favored when graphene membrane is subjected to aqueous environment with difference in chemical potential across the two sides. The resultant carbohydrate is two-dimensional, where the hydrogen atoms are exclusively attached on one side of graphene while the hydroxyl groups on the other side form a herringbone reconstruction that optimizes hydrogen bonding. We show that graphene undergos semi-metal-insulator transition upon hydration which is readily detectable from the significant shift in the vibration spectrum. The hydrate form of graphene suggests new applications for graphene in electronics, either deposited on a substrate or in solution.