A multiobjective closed-loop approach towards autonomous discovery of electrocatalysts for nitrogen reduction-Reference-Cited by-同舟云学术

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A multiobjective closed-loop approach towards autonomous discovery of electrocatalysts for nitrogen reduction

Published:2024 Issue:5 Volume:3 Page:999-1010
ISSN:2635-098X
Container-title:Digital Discovery
language:en
Short-container-title:Digital Discovery

Author:

Kavalsky Lance¹^ORCID,Hegde Vinay I.²^ORCID,Meredig Bryce²^ORCID,Viswanathan Venkatasubramanian¹^ORCID

Affiliation:

1. Carnegie Mellon University, Pittsburgh, PA 15213, USA

2. Citrine Informatics, Redwood City, CA 94063, USA

Abstract

We propose a multiobjective scoring scheme toward closed-loop computational discovery of electrocatalysts. To demonstrate, we autonomously search over single-atom alloys for active, stable, and cost-effective systems for nitrogen reduction.

Funder

Natural Sciences and Engineering Research Council of Canada

Advanced Research Projects Agency – Energy

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/DD/D3DD00244F

Reference55 articles.

1. Decarbonization of the chemical industry through electrification: Barriers and opportunities

2. Electrification and Decarbonization of the Chemical Industry

3. Machine learning enabled autonomous microstructural characterization in 3D samples

4. Autonomous Discovery in the Chemical Sciences Part I: Progress

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1. Electrowinning for Room-Temperature Ironmaking: Mapping the Electrochemical Aqueous Iron Interface;The Journal of Physical Chemistry C;2024-08-22

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