John R. Tritsch

TL;DR: This real-time view of hot CT exciton formation and relaxation using femtosecond nonlinear optical spectroscopies and non-adiabatic mixed quantum mechanics/molecular mechanics simulations in the phthalocyanine-fullerene model OPV system sets the fundamental time limit for competitive charge separation channels that lead to efficient photocurrent generation.

TL;DR: This Account reviews key experimental findings from TR-2PPE experiments and presents a theoretical analysis of the quantum coherent mechanism based on electronic structural and density matrix calculations for crystalline tetracene lattices, which reveals the critical roles of the charge transfer states and the high dephasing rates in ensuring the ultrafast formation of multiexciton states.

TL;DR: Evidence for the formation of two distinct charge transfer states due to electron transfer from photoexcited tetracene to the lowest unoccupied molecular orbital (LUMO) and the LUMO+1 levels in C(60), respectively is shown.

TL;DR: In this article, a study combining first principles density functional theory (DFT) with ultraviolet photoemission spectroscopy (UPS) and time-of-flight secondary ion mass spectrometry (TOF-SIMS) is presented to investigate the interface dipole, energy level alignment, and structural properties at the interface between CuPc and C60.

TL;DR: There is no evidence of MEG from intraband hot electron relaxation for excitation photon energy as high as three times the bandgap, and MEG occurs in this system only from interband hot electron transitions at sufficiently high photon energies.