We discuss here the state of the art on hybrid materials made from single (SWCNT) or multi (MWCNT) walled carbon nanotubes and MN4complexes such as metalloporphyrins and metallophthalocyanines. The hybrid materials have been characterized by several methods such as cyclic voltammetry (CV), scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS), atomic force microscopy (AFM) and scanning electrochemical microscropy (SECM). The materials are employed for electrocatalysis of reactions such as oxygen and hydrogen peroxide reduction, nitric oxide oxidation, oxidation of thiols and other pollutants.
The physisorption of bisphenol A (BPA) on pristine and oxidized graphene was studied theoretically via calculations performed at the PBE-D3 level (including dispersion force corrections). Three stable conformations of BPA on graphene were found. A lying-down configuration was energetically favored because the presence of π-π stacking and dispersion forces increased interactions. In addition, the adsorption of BPA on the edges of graphene oxide was enhanced when adsorption occurred on carboxyl and carbonyl groups, whereas the adsorption strength decreased when adsorption occurred on hydroxyl groups. The highest physisorption strength was obtained on the surface of graphene oxide due to the presence of π-π stacking and dispersion forces (which provided the greatest contribution to the adsorption energy) as well as hydrogen bonds (which provided a smaller contribution), indicating that oxidized graphene is a better candidate than pristine graphene for BPA removal. On the other hand, an increase in electrophilicity was observed after the physisorption of BPA in all systems (with respect to graphene and BPA in their isolated forms), with the adsorbent acting as the electron acceptor. Finally, molecular dynamics simulations performed using the PM6 Hamiltonian showed that the adsorption of BPA on graphene is stable.
Bibliographic review of cationic Cu(i) complexes that undergo Thermally Activated Delayed Fluorescence (TADF). From the first findings found in the homoleptic and heteroleptic Cu(i)-TADF complexes to the use of this property in lighting devices.
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