Issue 37, 2020

Me-graphene: a graphene allotrope with near zero Poisson's ratio, sizeable band gap, and high carrier mobility

Abstract

The exploration of new two-dimensional (2D) allotropes of carbon has attracted great research attention after graphene, but experiment-feasible graphene allotropes with novel properties are still rare. Here, we predict a new allotrope of graphene, named Me-graphene, composed of both sp2- and sp3-hybridized carbon by topological assembly of C-(C3H2)4 molecules. With a transitional ratio of sp2- and sp3-hybridized carbon atoms (12 : 1) between those of graphene (1 : 0) and penta-graphene (2 : 1), Me-graphene has transition properties between those of graphene and penta-graphene, such as energy, band gap, and Poisson's ratio. Unusually, Me-graphene exhibits a near zero Poisson's ratio of from −0.002 to 0.009 in the xy-plane (or called “anepirretic”), different from that of graphene (0.169) and penta-graphene (−0.068). More importantly, the near zero Poisson's ratio behavior remains in a large strain range, being less than ±0.02 for strain from −15% to +3%. Me-graphene possesses an indirect band gap of 2.04 eV, as a transition of graphene (semimetal) and penta-graphene (wide band gap), and turns into a direct-bandgap semiconductor with an enlarged band gap of 2.62 eV under compressive strain. It possesses high hole mobility of 1.60 × 105 cm2 V−1 s−1 at 300 K. Me-Graphene has potential applications in electronic, photoelectric and high-speed mechatronic devices. The transitional properties related to the ratio of sp2- and sp3-hybridized carbon atoms are inspiring for searching for new graphene allotropes with combinational properties.

Graphical abstract: Me-graphene: a graphene allotrope with near zero Poisson's ratio, sizeable band gap, and high carrier mobility

Supplementary files

Article information

Article type
Paper
Submitted
19 May 2020
Accepted
04 Sep 2020
First published
05 Sep 2020

Nanoscale, 2020,12, 19359-19366

Me-graphene: a graphene allotrope with near zero Poisson's ratio, sizeable band gap, and high carrier mobility

Z. Zhuo, X. Wu and J. Yang, Nanoscale, 2020, 12, 19359 DOI: 10.1039/D0NR03869E

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements