Sergei Tretiak

TL;DR: In this article, a family of donor/acceptor substituted polyenes are calculated using collective electronic normal modes obtained by solving equations of motion for the single-electron density matrix combined with the INDO/S semi-empirical hamiltonian.

TL;DR: In this article, a LiF barrier layer was used to investigate charge transfer dynamics across organic semiconductor tetracene/C60 interfaces in the presence of a Li-F barrier, and photo-induced absorption spectra in the 1.6−2.3 eV range revealed a strong effect of the intermediate Li-f barrier layer on dynamics of charge transfer excitons (CTE) creation and recombination.

TL;DR: In this article, organic color-center quantum defects in semiconducting carbon nanotube hosts are rapidly emerging as promising candidates for solid-state quantum information technologies, but it is unclear how to exploit them.

TL;DR: In this paper, the results from an in-depth computational study of small polaron formation, electronic structure, charge density, and reorganization energies using isolated structures are reported. But the results are limited to the case of hybrid halide perovskites.

TL;DR: Non-adiabatic excited state molecular dynamics simulations have been performed on a rigid synthetic heterodimer that has been proposed as a simplified model for investigating the role and mechanism of coherent energy transfer in multichromophoric systems.