Titanium-benzene complex as a molecular oxide adsorbent: a first principles approach
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Molecular Modeling"
DOI: 10.1007/s00894-021-04869-z
Abstract: CO, SO, NO, CO2, SO2, and NO2 gas sensing properties of Ti-benzene (C6H6Ti) complex are studied with first principles calculations by analyzing change in structural parameters, electronic properties, and charge transfer. Adsorption of all six… read more here.
Keywords: titanium benzene; complex molecular; benzene complex; oxide molecules ... See more keywords