Journal
ACS COMBINATORIAL SCIENCE
Volume 18, Issue 11, Pages 682-688Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acscombsci.6b00054
Keywords
high-throughput screening; combinatorial science; band gap; UV-vis spectroscopy; optical spectroscopy; solar fuels
Funding
- Office of Science of the U.S. Department of Energy [DE-SC0004993]
- US Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-76SF00515]
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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 Bi4V1.5Fe0.5O10.5 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.
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