Polarons are quasiparticles that easily form in polarizable materials due to the coupling of
excess electrons or holes with ionic vibrations. These quasiparticles manifest themselves in …

The electrochemical conversion of the greenhouse gas, carbon dioxide (CO 2), to energy
fuels and value-added chemicals presents one of the most valuable approaches to harvest …

Polarizable shell-model potentials are widely used for atomic-scale modeling of charged
defects in solids using the Mott–Littleton approach and hybrid Quantum …

Antimony sulfide (Sb2S3) and selenide (Sb2Se3) are emerging earth-abundant absorbers
for photovoltaic applications. Solar cell performance depends strongly on charge-carrier …

Polarons are localized electronic states that occur in many semiconductors. Modeling
polarons at the quantum or atomic scale is often performed using electronic structure …

Heteroatom doping into metal oxides advantageously modulates optoelectronic properties
and provides promising possibilities for efficient light-to-energy conversion. Herein, nitrogen …

The ultrafast dynamics of excited states in cerium oxide are investigated to access the early
moments of polaron formation, which can influence the photocatalytic functionality of the …

New polymorphic modifications of double sulfates β-AEu (SO4) 2 (A–Rb+, Cs+) were
obtained by the hydrothermal method, the structure of which differs significantly from the …

The formation of native point defects in semiconductors and their behaviors play a crucial
role in material properties. Although the native defects of V2O5 include vacancies, self …

We used cathodoluminescence (CL) spectroscopy to characterize the oxygen vacancies
(VO) in ceria (CeO2). The effects of the processing atmosphere and thermal quenching …