Add time:08/28/2019         Source:sciencedirect.com

Correlations among atomic structure, chemical reactivity, charge transfer and electronic structure properties were investigated in nanoporous carbon at different mass densities. The model structures have been generated by a heat-quench procedure using Density Functional Theory calculations and first-principles quantum molecular dynamics simulations. Reactive points seem to be highly dependent of the local structure of the material. The results showed that sponge-like nanoporous carbons are good candidates to graft polyoxometalates since they presented a stronger interaction with the carbon substrate. The charge transfer is from the the nanoporous carbon to the polyoxometalate and a covalent interaction was observed for a density of 0.75 g/cm3. Our materials developed an electronic band around the Fermi level.

We also recommend Trading Suppliers and Manufacturers of Reactive yellow 55 (cas 12769-12-9). Pls Click Website Link as below: cas 12769-12-9 suppliers