Xiaoyu Xie

TL;DR: In this paper, the atomic layer deposition of high-κ gate dielectrics on two-dimensional semiconductors using a monolayer molecular crystal as a seeding layer was reported.

TL;DR: The exciton dissociation in a model donor/acceptor heterojunction with electron-phonon couplings is simulated by a full quantum dynamical method, in which ultrafast long-range charge separation is observed and the entropy-increasing effect associated with the very dense density of states for LRCT states is beneficial for lowering the free energy barrier for charge generation in organic solar cells.

TL;DR: Wang et al. show that polaron pairs play vital role facilitating the hole transfer, which is quite different from the exciton dominated pathway in polymer-fullerene blends.

TL;DR: In this article, the authors used inelastic neutron scattering to probe thermal disorder directly by measuring the phonon spectrum in six different small molecule OSCs, which accurately reproduce with first principles simulations.

TL;DR: In this paper, the authors describe a practical and flexible procedure to compute the charge carrier mobility in the transient localization regime, which can be transparently linked with the results of electronic structure calculations and can be used to extract the charge mobility at no additional cost.