journal article·2017-10-13Open access

Discovery of Manganese-Based Solar Fuel Photoanodes via Integration of Electronic Structure Calculations, Pourbaix Stability Modeling, and High-Throughput Experiments

Aniketa Shinde, Santosh K. Suram, Qimin Yan, Lan Zhou, Arunima K. Singh, Jie Yu, Kristin A. Persson, Jeffrey B. Neaton, John M. Gregoire

ACS Energy Letters· Volume 2· Issue 10

Abstract

The solar photoelectrochemical generation of hydrogen and carbon-containing fuels comprises a critical energy technology for establishing sustainable energy resources. The photoanode, which is responsible for solar-driven oxygen evolution, has persistently limited technology advancement due to the lack of materials that exhibit both the requisite electronic properties and operational stability. Efforts to extend the lifetime of solar fuel devices increasingly focus on mitigating corrosion in the highly oxidizing oxygen evolution environment, motivating our development of a photoanode discovery pipeline that combines electronic structure calculations, Pourbaix stability screening, and high-throughput experiments. By applying the pipeline to ternary metal oxides containing manganese, we identify a promising class of corrosion-resistant materials and discover five oxygen evolution photoanodes, including the first demonstration of photoelectrocatalysis with Mn-based ternary oxides and the introduction of alkaline earth manganates as promising photoanodes for establishing a durable solar fuels technology.
Source: openalex_inverted_index · Quality: baseline

Research context

OpenAlex topics: Electrocatalysts for Energy Conversion · Advanced Photocatalysis Techniques · Copper-based nanomaterials and applications

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Joint Center for Artificial Photosynthesis, California Institute of Technology, Pasadena, California 91125, United States

Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States

Department of Physics, University of California, Berkeley, California 94720, United States

Department of Physics, Temple University, Philadelphia, Pennsylvania 19122, United States

Joint Center for Artificial Photosynthesis, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States

Environmental Energy Technologies Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States

Department of Materials Science and Engineering, University of California, Berkeley, California 94720, United States

Kavli Energy NanoSciences Institute at Berkeley, Berkeley, California 94720, United States

Funding

Office of Science

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