Abstract
Graphane functionalized with hydroxyl groups is shown to rapidly conduct protons under anhydrous conditions through a contiguous network of hydrogen bonds. Density functional theory calculations predict remarkably low barriers to diffusion of protons along a 1D chain of surface hydroxyls. Diffusion is controlled by the local rotation of hydroxyl groups, a mechanism that is very different from that found in 1D water wires in confined nanopores or in bulk water. The proton mean square displacement in the 1D chain was observed to follow Fickian diffusion rather than the expected single-file mobility. A charge analysis reveals that the charge on the proton is essentially equally shared by all hydrogens bound to oxygens, effectively delocalizing the proton.
- Received 19 July 2016
- Corrected 25 May 2017
DOI:https://doi.org/10.1103/PhysRevLett.118.186101
© 2017 American Physical Society
Physics Subject Headings (PhySH)
Corrections
25 May 2017
Erratum
Publisher’s Note: Facile Anhydrous Proton Transport on Hydroxyl Functionalized Graphane [Phys. Rev. Lett. 118, 186101 (2017)]
Abhishek Bagusetty, Pabitra Choudhury, Wissam A. Saidi, Bridget Derksen, Elizabeth Gatto, and J. Karl Johnson
Phys. Rev. Lett. 118, 239901 (2017)
Synopsis
Protons in the Fast Lane
Published 3 May 2017
A proposed graphene-based material could offer speedy transport of protons without the need for water.
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