activity
20162023
most citedElectronic structure and oxygen reduction on tunable [Ti(IV)Pc]2+and Ti(II)Pc titanyl-phthalocyanines: A quantum chemical prediction

6 citations · 7 across the 3 of their papers we have counts for

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Showing 2023 · cond-mat.mtrl-sciShow all

1 paper · 2 filters

cond-mat.mtrl-sci2023★ 1 cited

Diffusion of oxygen vacancies formed at the anatase (101) surface: An activation-relaxation technique study

Jeffrey Rohan De Lile, Normand Mousseau

TiO2 is a technologically important material. In particular, its anatase polymorph plays a major role in photocatalysis, which can also accommodate charged and neutral vacancies. T…