Computationally-screened shortlisted sulphur trioxide splitting (STS) oxide catalysts

First shortlist of oxide-based sulphur trioxide splitting catalytic compositions of interest as identified through atomistic-scale computational and thermodynamic properties' modelling and calculation of thermodynamic parameters of interest with the aid of commercial and in-house developed codes and software packages. to support material synthesis research in a rational way. Referred to Task 1.2.