Charge carrier transport dynamics in W/Mo-doped BiVO4: first principles-based mesoscale characterization

First principles-based mesoscale characterization of electron transport in W/Mo-doped BiVO4 reveals the existence of “stabilization” regions around dopant sites. The stabilization regions decrease slightly the electron polaron mobility, albeit the overall electrode conductivity increases.

Combining Landau–Zener theory and kinetic Monte Carlo sampling for small polaron mobility of doped BiVO4 from first-principles

We demonstrate how dopants affect the electron polaron mobility in BiVO4 fully from first-principles.

Influence of quasi-particle density over polaron mobility in armchair graphene nanoribbons

An important aspect concerning the performance of armchair graphene nanoribbons (AGNRs) as materials for conceiving electronic devices is related to the mobility of charge carriers in these systems.