The nature of the electronic ground state of M<sub>2</sub>C (M = Ti, V, Cr, Zr, Nb, Mo, Hf, Ta, and W) MXenes
Néstor García‐Romeral, Ángel Morales‐García, Francesc Viñes, Ibério de P. R. Moreira, Francesc Illas
Abstract
A systematic computational study is presented aimed at accurately describing the electronic ground state nature and properties of M 2 C (M = Ti, V, Cr, Zr, Nb, Mo, Hf, Ta, and W) MXenes.
Topics & Concepts
MXenesGround stateMaterials scienceCrystallographyChemistryPhysical chemistryPhysicsAtomic physicsNanotechnologyMXene and MAX Phase Materials2D Materials and ApplicationsBoron and Carbon Nanomaterials Research