Co2+ Doping and Molecular Adsorption Behavior of Anatase TiO2 (001) Crystal Plane

نویسندگان

چکیده

TiO2 (001) crystal plane exhibits molecular adsorption and photocatalytic activity. The loading capacity of reactive oxygen species present on planes helps in the significant improvement catalytic methods synthesis conditions existence significantly affect properties planes, which turn affects ability system to load species. Herein, we report simulation behavior using density functional theory technique. results show that doped with Co2+ produces an defect chemisorbs O2 molecules vicinity. Under adequate concentration, second molecule is chemisorbed. This improves store oxygen. However, undoped adsorb H2O undergo hydroxylation under processing conditions. poor. doping increases electrical conductivity sensitivity adsorbed molecules, beneficial further activity system. Fourier transform infrared spectroscopy (FTIR), electrochemical impedance (EIS) techniques were used confirm these results. indicate can be changed by improve plane.

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ژورنال

عنوان ژورنال: Catalysis Research

سال: 2022

ISSN: ['2771-490X', '2771-490X']

DOI: https://doi.org/10.21926/cr.2203018