Exploration of copper bimetallic alloys for modulating CO adsorption using alchemical derivatives

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  • Presentation type: Apresentação de Pôster / Poster Communications
  • Track: Computational Chemistry
  • Keywords: Alchemical transformations; CO2 electrocatalysis; Catalysis;

Authors:

  • 1 Universidade Federal do ABC

Exploration of copper bimetallic alloys for modulating CO adsorption using alchemical derivatives

LUCAS BANDEIRA

Universidade Federal do ABC

Abstract

* The increase in CO2 concentration in Earth's atmosphere.;
* The lack of selectivity in CO2ER and COER;
* Search through candidate alloys for CO2ER/COER faster than using standard DFT methods.

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