Regensburg 2013 – wissenschaftliches Programm
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O: Fachverband Oberflächenphysik
O 58: Poster Session III (Solid-liquid interfaces; Scanning probe and other methods; Electronic structure theory; Spin-orbit interaction)
O 58.76: Poster
Mittwoch, 13. März 2013, 18:15–21:45, Poster B1
Bandgap Engineering of Layered Perovskites for Single- and Two-Photon Water Splitting — •Ivano Castelli, Kristian Thygesen, and Karsten Jacobsen — Department of Physics, Technical University of Denmark, Kgs. Lyngby, Denmark
The conversion of solar light into electrons and holes and the subsequent use of their energy to create fuels like hydrogen is one of the possible ways to address the world’s pressing energy supply and storage problem. The properties determining the usefulness of a material to be used as light harvester in a photochemical cell include a narrow band gap well positioned with respect to the redox potentials of water and chemical/structural stability.
We have recently screened for one- and two-photon water splitting materials[1,2] in the cubic perovskite structure. We have found 20 promising materials for one-photon water splitting and an additional 12 for the two-photon process. We have applied the screening procedure to the double perovskite oxides and we have extracted some rules to combine two materials for obtaining a bandgap in the desired region.
We currently investigate the layered perovskite structure, consisting of 2D slabs of cubic perovskite separated by some motif, with a general formula of An−1BnO3n+1. We focus on finding new combinations for one- and two-photon water splitting and on designing new rules to tune the bandgap by changing the interlayer motif.
References [1] I.E. Castelli, et al., Energy Environ. Sci., 5, 5814 (2012). [2] I.E. Castelli, et al., Energy Environ. Sci., 5, 9034 (2012).