Discovery of Solar Fuels
Photoanode Materials by Integrating High - Throughput Theory and Experiment.
Not exact matches
The combined
material, called a
photoanode, showed excellent stability while reaching a current density of 10 milliamps per square centimeter, the researchers reported.
The technique used to identify the
photoanodes uses a combination of theory and practice — the scientists worked with a supercomputer and a database of around 60,000
materials, and used quantum mechanics to predict the properties of each
material.
«Today, bismuth vanadate is one of the best
materials available for constructing
photoanodes,» said Sharp.
The team is also excited that the collective effort provides not only the discovery of high - performance
materials, but also the advancement in scientific understanding of metal oxide
photoanodes.
Our joint theory - experiment effort has successfully identified new earth - abundant copper and manganese vanadate complex oxides that meet highly demanding requirements for
photoanodes, substantially expanding the known space of such
materials.
In collaboration with the
Materials Project, JCAP's high - throughput experimentation team, led by John Gregoire (Caltech), and a theory team, led by Jeff Neaton and Kristin Persson (LBNL), now have a defined means for rapid identification of the most promising classes of
photoanodes.
Employing a strategic combination of detailed electronic structure calculations, combinatorial
materials synthesis, and both traditional and high - throughout photoelectrochemistry measurements, the JCAP team identified earth - abundant copper and manganese vanadate complex oxides that meet highly demanding requirements for
photoanodes: low band gap energy, stability under highly oxidizing conditions, and valence band alignment with respect to OER.
Dr. Ager's research interests include the fundamental electronic and transport characteristics of photovoltaic
materials, development of new
photoanodes and photocathodes based on abundant elements for solar fuels production, and the development of new oxide - and sulfide - based transparent conductors.
Within JCAP, Dr. Haber's research focus surrounds the application of high - throughput methods to integrate promising lead
materials into functional assemblies, such as integration of electrocatalyst libraries with light absorbers to produce functional
photoanode and photocathode assemblies.