Combining high throughput experimentation with theory enabled discovery of a unique solar fuels
photoanode with remarkable stability.
Not exact matches
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.
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.
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.