California Institute of Technology

University of California

Lawrence Berkeley National Laboratory

Toyota Research Institute, Inc.

John M Gregoire

Santosh K Suram

Jian Jin

Chengxiang Xiang

Lan Zhou

Aniketa A Shinde

Dan W Guevarra

Slobodan Mitrovic

Joel A Haber

Martin R Marcin

Ryan J Jones

Paul F Newhouse

Kevin S Kan

Brian Rohr

Helge Stein

An oxygen evolution reaction catalyst is a ternary metal oxide that includes Mn and is represented by MnSbOin the rutile crystal phase and MMnOwhere M is selected from the group consisting of Ca, Ni, Sr, Zn, Mg, Ni, Ba, Co and where u/(u+v) is greater than 33%.

Oxygen evolution reaction catalysis

A composition of matter includes an n-type semiconductor. At least a portion of the semiconductor has the crystal structure of the chemical compound represented by FeWO. The portion of the semiconductor having the crystal structure of FeWOincludes iron and tungsten. A photoanode can have a light-absorbing layer that includes or consists of the semiconductor. A solar fuels generator can include the photoanode.

Semiconductor suitable for use in photoanode

Methods and systems described herein concern machine-learning-assisted materials discovery. One embodiment selects a candidate sample set including a plurality of compositions and performs the following operations iteratively: (1) selects an acquisition sample set, (2) performs a dark electrocatalyst experiment or a photo-electrocatalyst experiment on the compositions in the acquisition sample set to determine one or more properties, (3) trains a machine learning model using the one or more properties, and (4) predicts, based at least in part on one or more outputs of the machine learning model, the one or more properties for one or more compositions in a test sample set including compositions on which an experiment has not yet been performed. When one or more predetermined termination criteria have been satisfied, the embodiment also identifies one or more compositions in the candidate sample set for which the one or more properties satisfy predetermined performance criteria.

Methods and systems for machine-learning-assisted discovery of dark electrocatalysts and photo-electrocatalysts

Various samples are generated on a substrate. The samples each includes or consists of one or more analytes. In some instances, the samples are generated through the use of gels or through vapor deposition techniques. The samples are used in an instrument for screening large numbers of analytes by locating the samples between a working electrode and a counter electrode assembly. The instrument also includes one or more light sources for illuminating each of the samples. The instrument is configured to measure the photocurrent formed through a sample as a result of the illumination of the sample.

Generation and analysis of chemical compound libraries

Electrochemical experiments are performed on a collection of samples by suspending a drop of electrolyte solution between an electrochemical experiment probe and one of the samples that serves as a test sample. During the electrochemical experiment, the electrolyte solution is added to the drop and an output solution is removed from the drop. The probe and collection of samples can be moved relative to one another so the probe can be scanned across the samples.

Scanning drop sensor

Electrochemical or electrochemical and photochemical experiments are performed on a collection of samples by suspending a drop of electrolyte solution between an electrochemical experiment probe and one of the samples that serves as a test sample. During the electrochemical experiment, the electrolyte solution is added to the drop and an output solution is removed from the drop. The probe and collection of samples can be moved relative to one another so the probe can be scanned across the samples.

An Oxygen Evolution Reaction (OER) catalyst includes a metal oxide that includes oxygen, cerium, and one or more second metals. In some instances, the cerium is 10 to 80 molar % of the metals in the metal oxide and/or the catalyst includes two or more second metals. The OER catalyst can be included in or on an electrode. The electrode can be arranged in an oxygen evolution system such that the Oxygen Evolution Reaction occurs at the electrode.

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Sierra Madre, CA, United States of America

John M Gregoire