Title:	MXene
DNr:	SNIC 2013/1-275
Project Type:	SNIC Medium Compute
Principal Investigator:	Anita Lloyd Spetz <spetz@ifm.liu.se>
Affiliation:	Linköpings universitet
Duration:	2013-10-17 – 2014-08-01
Classification:	21001 20599 20299
Homepage:	http://www.liu.se/forskning/funmat/
Keywords:

Abstract

2011 a newly synthesized 2D material called Mxene was introduced to the materials science society. This material is produced by exfoliation of the MAX phase material and is composed of a fewlayers and scrolls. Due to the wide variety of different phases and compositions in the MAX phase family, aside from the existing experimental reports, there is a strong potential for production of different kinds of Mxene materials in the near future. In this rather pioneering project we have planned to theoretically investigate the atomic and the electronic properties of different Mxene materials and to report more of its characteristics and potential applications using VASP.