Nature Communications (Jun 2018)

In situ atomistic insight into the growth mechanisms of single layer 2D transition metal carbides

  • Xiahan Sang,
  • Yu Xie,
  • Dundar E. Yilmaz,
  • Roghayyeh Lotfi,
  • Mohamed Alhabeb,
  • Alireza Ostadhossein,
  • Babak Anasori,
  • Weiwei Sun,
  • Xufan Li,
  • Kai Xiao,
  • Paul R. C. Kent,
  • Adri C. T. van Duin,
  • Yury Gogotsi,
  • Raymond R. Unocic

DOI
https://doi.org/10.1038/s41467-018-04610-0
Journal volume & issue
Vol. 9, no. 1
pp. 1 – 9

Abstract

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Understanding bottom-up growth mechanisms of 2D transition metal carbides (MXenes) may enable new synthetic routes to tailor functional properties. Here, the authors use in situ electron microscopy, density functional theory and molecular dynamics simulations to reveal the homoepitaxial growth mechanisms of a single TiC adlayer from a Ti3C2 monolayer substrate.