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High Throughput Experimentation for the Discovery of Water Splitting Materials

Gregoire, John M. and Boyd, David A. and Guevarra, Dan and Haber, Joel A. and Jones, Ryan and Kan, Kevin and Marcin, Martin and Newhouse, Paul F. and Shinde, Aniketa and Soedarmadji, Edwin and Suram, Santosh K. and Zhou, Lan (2018) High Throughput Experimentation for the Discovery of Water Splitting Materials. In: Integrated Solar Fuel Generators. Energy and Environment Series. No.22. Royal Society of Chemistry , Cambridge, pp. 307-340. ISBN 978-1-78262-555-1.

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High throughput experimentation is a powerful approach for accelerating materials discovery, particularly when embedded within a larger research effort providing clear guidance as to technologically relevant device operating conditions and in which discovered materials can be rapidly validated, further investigated, and incorporated into devices. In this chapter we provide an overview of high throughput pipelines developed to discover solar fuels materials, with particular attention given to electrocatalysts and photoelectrocatalysts for the oxygen evolution reaction. The description of the pipelines details our philosophy that experiment throughput must be contingent on establishing high data quality, which is embodied by our strategic choices of synthesis, screening, characterization, and data management techniques. This account of high throughput discovery of solar fuels materials provides a template for designing high throughput pipelines for mission-driven science research.

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Gregoire, John M.0000-0002-2863-5265
Shinde, Aniketa0000-0003-2386-3848
Suram, Santosh K.0000-0001-8170-2685
Additional Information:© 2019 The Royal Society of Chemistry. While this chapter was authored by the present high throughput experimentation group, much of the work was made possible by contributions from previous group members. We thank Jian Jin for his initial leadership of the group and establishing many of the initial concepts and instrument designs; Slobodan Mitrovic for his commencement of the inkjet printing, optical spectroscopy, and materials characterization efforts; Earl Cornell for his commencement of data management and experiment automation; Lung-Sheng (Sean) Lin for his commencement of instrument engineering efforts; Xiaonao Liu for her contributions to the development of high speed printing; Chengxiang (CX) Xiang for his contributions to the (photo)electrochemical screening techniques; Meyer (Misha) Pesenson for his contributions to materials informatics and statistical analysis; Natalie Becerra-Stasiewicz for her contributions to materials characterization; and Nathan Lewis and Eric McFarland whose advice was critical in establishing the high throughput pipeline. We also thank the many collaborators, in particular our theory collaborators Jeffrey Neaton, Kristin Persson, Guo Li, Jie Yu, and Qimin Yan; our materials characterization collaborators Junko Yano, Walter Drisdell, Marco Favaro, Sean Fackler, Ethan Crumlin, Apurva Mehta, Douglas van Campen, Fang Ren, and Christian Kisielowski; our materials integration collaborators Ian Sharp, Francesca Toma, and Guiji Liu; and our computer science and phase mapping collaborators Carla Gomes, Ronan LeBras, Stefano Ermon, Yexiang Xue, Junwen Bai, Brendan Rappazzo, Richard Bernstein, Johan Bjorck, and R. Bruce van Dover. This material is based upon work performed by the Joint Center for Artificial Photosynthesis, a DOE Energy Innovation Hub, supported through the Office of Science of the US Department of Energy under Award Number DE-SC0004993. In addition to the financial support, we thank the DOE for their implementation of the hub approach to advancing energy technologies, which uniquely enabled the high throughput research described in this chapter.
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Department of Energy (DOE)DE-SC0004993
Record Number:CaltechAUTHORS:20180910-110703060
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Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:89487
Deposited By: Tony Diaz
Deposited On:10 Sep 2018 18:15
Last Modified:10 Sep 2018 18:15

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