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Title: Understanding the Photocatalytic Properties of Pt/CeO x /TiO 2 : Structural Effects on Electronic and Optical Properties

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. Yet, 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 CeO 2/TiO 2 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. Conclusively, these models are used for the screening of other metals that can be combined with this heterostructure to possibly find more efficient water splitting photocatalysts.

Authors:
ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [2]; ORCiD logo [1]
  1. Univ. of Seville (Spain)
  2. Brookhaven National Lab. (BNL), Upton, NY (United States)
Publication Date:
Research Org.:
Brookhaven National Lab. (BNL), Upton, NY (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22); Ministerio de Economía y Competitividad
OSTI Identifier:
1550795
Alternate Identifier(s):
OSTI ID: 1525539
Report Number(s):
BNL-211932-2019-JAAM
Journal ID: ISSN 1439-4235
Grant/Contract Number:  
SC0012704; CTQ2015-64669-P
Resource Type:
Accepted Manuscript
Journal Name:
ChemPhysChem
Additional Journal Information:
Journal Volume: 20; Journal Issue: 12; Journal ID: ISSN 1439-4235
Publisher:
ChemPubSoc Europe
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; CeO2; interface; Pt; TiO2; water splitting

Citation Formats

Plata, J. J., Remesal, E. R., Graciani, Jesús, Márquez, A. M., Rodríguez, J. A., and Sanz, Javier Fernández. Understanding the Photocatalytic Properties of Pt/CeOx /TiO2 : Structural Effects on Electronic and Optical Properties. United States: N. p., 2019. Web. doi:10.1002/cphc.201900141.
Plata, J. J., Remesal, E. R., Graciani, Jesús, Márquez, A. M., Rodríguez, J. A., & Sanz, Javier Fernández. Understanding the Photocatalytic Properties of Pt/CeOx /TiO2 : Structural Effects on Electronic and Optical Properties. United States. doi:10.1002/cphc.201900141.
Plata, J. J., Remesal, E. R., Graciani, Jesús, Márquez, A. M., Rodríguez, J. A., and Sanz, Javier Fernández. Thu . "Understanding the Photocatalytic Properties of Pt/CeOx /TiO2 : Structural Effects on Electronic and Optical Properties". United States. doi:10.1002/cphc.201900141.
@article{osti_1550795,
title = {Understanding the Photocatalytic Properties of Pt/CeOx /TiO2 : Structural Effects on Electronic and Optical Properties},
author = {Plata, J. J. and Remesal, E. R. and Graciani, Jesús and Márquez, A. M. and Rodríguez, J. A. and Sanz, Javier Fernández},
abstractNote = {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. Yet, 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. Conclusively, these models are used for the screening of other metals that can be combined with this heterostructure to possibly find more efficient water splitting photocatalysts.},
doi = {10.1002/cphc.201900141},
journal = {ChemPhysChem},
number = 12,
volume = 20,
place = {United States},
year = {2019},
month = {5}
}

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