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DOE OSTI · 3006012

Electronic Structure-Based Descriptors for Oxide Properties and Functions

Giordano, Livia·Akkiraju, Karthik·Jacobs, Ryan·Vivona, Daniele·Morgan, Dane·Shao-Horn, Yang
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Abstract

The transition from fossil fuels to renewable energy requires the development of efficient and cost-effective energy storage technologies. A promising way forward is to harness the energy of intermittent renewable sources, such as solar and wind, to perform (electro)catalytic reactions to generate fuels, thus storing energy in the form of chemical bonds. Furthermore, current catalysts rely on the use of expensive, rare, or geographically localized elements, such as platinum. Widespread adoption of new (electro)catalytic technologies hinges on the discovery and development of materials containing earth-abundant elements, which can efficiently catalyze an array of (electro)chemical reactions.

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AdsorptionMaterialsOxidesOxygenPerovskites

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Giordano, Livia, Akkiraju, Karthik, Jacobs, Ryan, Vivona, Daniele, Morgan, Dane, Shao-Horn, Yang. 2022-01-20. Electronic Structure-Based Descriptors for Oxide Properties and Functions. https://doi.org/10.1021/acs.accounts.1c00509

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