Descriptors and graphical construction for in silico design of efficient and selective single atom catalysts for the eNRR

The electrochemical nitrogen reduction reaction (eNRR) offers the possibility of ammonia synthesis under mild conditions; however, it suffers from low yields, a competing hydrogen evolution reaction pathway, and hydrogen poisoning. We present a systematic approach toward screening single atom cataly...

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Detalles Bibliográficos
Autores principales: Kapse, Samadhan, Narasimhan, Shobhana, Thapa, Ranjit
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2022
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9430735/
https://www.ncbi.nlm.nih.gov/pubmed/36128233
http://dx.doi.org/10.1039/d2sc02625b

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9430735/
https://www.ncbi.nlm.nih.gov/pubmed/36128233
http://dx.doi.org/10.1039/d2sc02625b

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