Screening of bimetallic electrocatalysts for water purification with machine learning

Electrocatalysis provides a potential solution to NO3- pollution in wastewater by converting it to innocuous N2 gas. However, materials with excellent catalytic activity are typically limited to expensive precious metals, hindering their commercial viability. Here, in response to this challenge, we...

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Veröffentlicht in:	The Journal of chemical physics 2022-08, Vol.157 (7)
Hauptverfasser:	Tran, Richard, Wang, Duo, Kingsbury, Ryan, Palizhati, Aini, Persson, Kristin Aslaug, Jain, Anubhav, Ulissi, Zachary W.
Format:	Artikel
Sprache:	eng
Schlagworte:	adsorption catalysis catalysts chemical reaction dynamics corrosion density functional theory INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY machine learning mathematical crystallography renewable energy reverse osmosis
Online-Zugang:	Volltext
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