High Throughput Light Absorber Discovery, Part 2: Establishing Structure–Band Gap Energy Relationships
Abstract
Combinatorial materials science strategies have accelerated materials development in a variety of fields, and we extend these strategies to enable structure–property mapping for light absorber materials, particularly in high order composition spaces. High throughput optical spectroscopy and synchrotron X-ray diffraction are combined to identify the optical properties of Bi–V–Fe oxides, leading to the identification of Bi_4V_(1.5)Fe_(0.5)O_(10.5) as a light absorber with direct band gap near 2.7 eV. The strategic combination of experimental and data analysis techniques includes automated Tauc analysis to estimate band gap energies from the high throughput spectroscopy data, providing an automated platform for identifying new optical materials.
Additional Information
© 2016 American Chemical Society. ACS Editors' Choice - This is an open access article published under an ACS AuthorChoice License, which permits copying and redistribution of the article or any adaptations for non-commercial purposes. Received: April 9, 2016; Revised: September 8, 2016; Publication Date (Web): September 23, 2016. This manuscript is based upon work performed by the Joint Center for Artificial Photosynthesis, a DOE Energy Innovation Hub, supported through the Office of Science of the U.S. Department of Energy (Award No. DE-SC0004993). Use of the Stanford Synchrotron Radiation Lightsource, SLAC National Accelerator Laboratory, is supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences under Contract No. DE-AC02-76SF00515. The authors thank Ryan Jones, Chad Miller, Samuil Belopolskiy, and Tim Dunn for assistance with the synchrotron experiments. The authors declare no competing financial interest.Attached Files
Published - acscombsci.6b00054.pdf
Supplemental Material - co6b00054_si_001.pdf
Supplemental Material - co6b00054_si_002.zip
Files
Additional details
- Eprint ID
- 71353
- DOI
- 10.1021/acscombsci.6b00054
- Resolver ID
- CaltechAUTHORS:20161021-140906751
- DE-SC0004993
- Department of Energy (DOE)
- DE-AC02-76SF00515
- Department of Energy (DOE)
- Created
-
2016-10-21Created from EPrint's datestamp field
- Updated
-
2021-11-11Created from EPrint's last_modified field
- Caltech groups
- JCAP