Hydroxyl-decorated graphene systems as candidates for organic metal-free ferroelectrics, multiferroics, and high-performance proton battery cathode materials

Menghao Wu, J. D. Burton, Evgeny Y. Tsymbal, Xiao Cheng Zeng, Puru Jena

Research output: Contribution to journalArticle

53 Scopus citations

Abstract

Using a first-principles method we show that graphene based materials, functionalized with hydroxyl groups, constitute a class of multifunctional, lightweight, and nontoxic organic materials with functional properties such as ferroelectricity, multiferroicity, and can be used as proton battery cathode materials. For example, the polarizations of semihydroxylized graphane and graphone, as well as fully hydroxylized graphane, are much higher than any organic ferroelectric materials known to date. Further, hydroxylized graphene nanoribbons with proton vacancies at the end can have much larger dipole moments. They may also be applied as high-capacity cathode materials with a specific capacity that is six times larger than lead-acid batteries and five times that of lithium-ion batteries.

Original languageEnglish (US)
Article number081406
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume87
Issue number8
DOIs
StatePublished - Feb 19 2013

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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