2024 · Computational Materials Science

Enhancing the electronic properties of TiO2 nanoparticles through carbon doping: An integrated DFTB and computer vision approach

Mustafa Kurban , Can Polat , Erchin Serpedin , Hasan Kurban
TL;DR

An integrated ML + DFT study of carbon doping in TiO2 nanoparticles and what that does to their electronic properties.

Cite
@article{kurban2024enhancing,
  title = {Enhancing the electronic properties of TiO2 nanoparticles through carbon doping: An integrated DFTB and computer vision approach},
  author = {Mustafa Kurban and Can Polat and Erchin Serpedin and Hasan Kurban},
  year = 2024,
  journal = {Computational Materials Science},
  doi = {10.1016/j.commatsci.2024.113248},
}