Listar INAM_Articles por autoría "27550281-f7cb-4e06-9632-bc2f3239115f"
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Catalysis Meets Spintronics; Spin Potentials Associated with Open-Shell Orbital Configurations Enhance the Activity of Pt3Co Nanostructures for Oxygen Reduction: A Density Functional Theory Study
Biz, Chiara; Fianchini, Mauro; Gracia, Jose American Chemical Society (2020)One of the main obstacles in the implementation of hydrogen fuel cells (HFC) lies in the efficiency loss due to the overpotential of the oxygen reduction reaction (ORR). Nowadays, the best catalysts for cathodes in HFC are ... -
Spin polarisation in dual catalysts for the oxygen evolution and reduction reactions
Gracia, Jose; Fianchini, Mauro; Biz, Chiara; Polo, Victor; Gómez, Roberto Elsevier (2021-07-09)Strongly correlated catalysts can be understood from precise quantum approximations. Incorporating properly electronic correlations thus let’s define Spin rules in catalysis, opening a new door towards optimum compositions ...