Electronic structure and oxygen reduction on tunable [Ti(IV)Pc]2+ and Ti(II)Pc titanyl-phthalocyanines: A quantum chemical prediction

Electronic structure and oxygen reduction on tunable [Ti(IV)Pc]2+ and Ti(II)Pc titanyl-phthalocyanines: A quantum chemical prediction

Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computational Materials Science - Volume 129, March 2017, Pages 24-36

Jeffrey Roshan De Lile, Thomas Heine, Su Zhou,