RT Journal Article
T1 Upgrading photocatalytic hydrogen evolution in Ba–Sr–Ta–O perovskite-type layered structures
A1 Gómez Toledo, Marianela
A1 Boulahya, Khalid
A1 Collado, Laura
A1 de la Peña O´Shea, Víctor
A1 Arroyo De Dompablo, María Elena
AB Photocatalytic hydrogen evolution from water is investigated in Ba–Sr–Ta–O layered compounds possessing two different crystal structures: Sr2Ta2O7 (S.G. Cmcm, a (110) type layered pervoskite), and BaSrTa2O7 (S.G. Immm, a (100) type layered perovskite). High purity samples of BaSrTa2O7 and Sr2Ta2O7 are successfully prepared by solid state reaction. Hydrogen production under UV irradiation is 26% larger in BaSrTa2O7 (15.2 mmol g−1) than in Sr2Ta2O7 (11.4 mmol g−1). The band gaps determined by diffuse reflectance spectroscopy (DRS) are 4 eV and 4.6 eV for BaSrTa2O7 and Sr2Ta2O7, respectively. Density Functional Theory (DFT) calculations provide insights into the crystal and electronic structures of Sr2Ta2O7, BaSrTa2O7, and their derived series Sr2-xBaxTa2O7 (0 ≤ x ≤ 1). It is found that independently of the Sr/Ba content, the BaSrTa2O7-derived series show a ∼0.6 eV lower band gap and a wider conduction band than the Sr2Ta2O7-derived series. DFT results indicate that the enhanced hydrogen production of BaSrTa2O7 is related to particular features of its crystal structure which favor Ta–Ta interactions.
PB Elsevier
YR 2024
FD 2024-02-27
LK https://hdl.handle.net/20.500.14352/118370
UL https://hdl.handle.net/20.500.14352/118370
LA eng
NO arianela Gómez-Toledo, Khalid Boulahya, Laura Collado, Víctor A. de la Peña O'Shea, M. Elena Arroyo-de Dompablo, Upgrading photocatalytic hydrogen evolution in Ba–Sr–Ta–O perovskite-type layered structures, International Journal of Hydrogen Energy, Volume 63, 2024, Pages 1003-1012, ISSN 0360-3199, https://doi.org/10.1016/j.ijhydene.2024.02.346.
NO Ministerio de Ciencia e Innovación
NO Unión Europea
NO Universidad Complutense de Madrid
NO Comunidad de Madrid
DS Docta Complutense
RD 4 abr 2025