High Throughput Light Absorber Discovery, Part 2: Establishing Structure-Band Gap Energy Relationships.
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 Bi4V1.5Fe0.5O10.5as 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.
Joint Center for Artificial Photosynthesis, California Institute of Technology , Pasadena California 91125, United States.
Santosh K
SK
Suram
Joint Center for Artificial Photosynthesis, California Institute of Technology , Pasadena California 91125, United States.
Paul F
PF
Newhouse
Joint Center for Artificial Photosynthesis, California Institute of Technology , Pasadena California 91125, United States.
Lan
L
Zhou
Stanford Linear Accelerator Laboratory, Stanford University , Menlo Park, California 94025, United States.
Douglas G
DG
Van Campen
Stanford Linear Accelerator Laboratory, Stanford University , Menlo Park, California 94025, United States.
Apurva
A
Mehta
Joint Center for Artificial Photosynthesis, California Institute of Technology , Pasadena California 91125, United States.
John M
JM
Gregoire
D001729:Bismuth / Q000737:chemistry; D004735:Energy Transfer; D005290:Ferric Compounds / Q000737:chemistry; D057166:High-Throughput Screening Assays; D015394:Molecular Structure; D012993:Solar Energy; D013057:Spectrum Analysis / Q000379:methods*; D017968:Vanadium Compounds / Q000737:chemistry; D014961:X-Ray Diffraction
D005290:Ferric Compounds; D017968:Vanadium Compounds; C000499:ferric oxide; C033301:bismuth oxide; D001729:Bismuth
UV−vis spectroscopy; band gap; combinatorial science; high-throughput screening; optical spectroscopy; solar fuels