Browsing INAM_Articles by Author "901dba1d-8b48-45d7-808b-b4136f204590"
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A discussion on the possible involvement of singlet oxygen in oxygen electrocatalysis
Chen, Gao; Sun, Yuanmiao; Chen, Riccardo Ruixi; Biz, Chiara; Fisher, Adrian; Sherburne, Matthew; Ager, Joel; Gracia, Jose; Xu, Zhichuan J IOP Publishing (2021-05-11)The dioxygen molecule has two bound states, singlet and triplet, which are different in energy, lifetime, and reactivity. In the context of oxygen electrocatalysis as applied to fuel cells and water splitting the involved ... -
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 ... -
Gold(I) Metallo‐Tweezers for the Recognition of Functionalized Polycyclic Aromatic Hydrocarbons by Combined π–π Stacking and H‐Bonding
Biz, Chiara; Ibáñez, Susana; Poyatos, Macarena; Gusev, Dmitry; Peris, Eduardo Wiley (2017)Two gold(I)‐based metallo‐tweezers with bis(Au−NHC) pincers and a carbazole connector have been obtained and used for the recognition of polycyclic aromatic hydrocarbons (PAHs). In the case of the tweezer with pyrene–NHC ... -
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 ...