DOI: 10.1039/d3cp02009f ISSN: 1463-9076

A theoretical study on the surface reaction of tetrakis(dimethylamino)titanium on titanium oxide

Hye-Lee Kim, Romel Hidayat, Khabib Khumaini, Won-Jun Lee
  • Physical and Theoretical Chemistry
  • General Physics and Astronomy

The chemisorption of TDMAT was simulated by DFT using a TiO2 slab model. Three NMe2 ligands would be released with low activation energies to form the surface species of –TiNMe2*.

More from our Archive