Understanding the Photocatalytic Properties of Pt/CeOx /TiO2 : Structural Effects on Electronic and Optical Properties

J J Plata; E R Remesal; Jesús Graciani; A M Márquez; J A Rodríguez; Javier Fernández Sanz

doi:10.1002/cphc.201900141

Understanding the Photocatalytic Properties of Pt/CeO_x /TiO₂ : Structural Effects on Electronic and Optical Properties

Chemphyschem. 2019 Jun 17;20(12):1624-1629. doi: 10.1002/cphc.201900141. Epub 2019 Jun 7.

Authors

J J Plata¹, E R Remesal¹, Jesús Graciani¹, A M Márquez¹, J A Rodríguez², Javier Fernández Sanz¹

Affiliations

¹ Departamento de Química Física, Facultad de Química, Universidad de Sevilla s/n, 41012, Sevilla.
² Chemistry Department, Brookhaven National Laboratory Upton, New York, 11973-5000, United States.

PMID: 31046196
DOI: 10.1002/cphc.201900141

Abstract

Ceria-titania interfaces play a crucial role in different chemical processes but are especially promising for the photocatalytic splitting of water using light in the visible wavelength region when Pt is added to the system. However, the complexity of this hierarchical structure hampers the study of the origin of its outstanding properties. In this article, the structural, electronic and optoelectronic properties of CeO₂ /TiO₂ systems containing 1D, 2D, and 3D particles of ceria are analyzed by means of density functional calculations. Adsorption sites and vacancy effects have been studied to model Pt adsorption. Density of states calculations and absorption spectra simulations explain the behavior of these systems. Finally, these models are used for the screening of other metals that can be combined with this heterostructure to potentially find more efficient water splitting photocatalysts.

Keywords: CeO2; Pt; TiO2; interface; water splitting.

Publication types

Research Support, U.S. Gov't, Non-P.H.S.
Research Support, Non-U.S. Gov't

Abstract

Publication types

Grants and funding