122 citations · 402 across the 15 of their papers we have counts for
15 papers
Ab Initio Simulation of Femtosecond Time-Resolved Multi-Pulse Spectroscopies applied to the HeptazineHO Complex
Sebastian V. Pios, Maxim F. Gelin, Wolfgang Domcke +1
In multi-dimensional time-resolved spectroscopic experiments, multiple (more than two) short laser pulses with variable pulse delay times are employed for the time-resolved explora…
WaveMixings.jl: a Julia package for performing on-the-fly time-resolved nonlinear electronic spectra from quasi-classical trajectories
Luis Vasquez, Sebastian Pios, Lipeng Chen +3
We present an efficient numerical implementation of the quasi-classical doorway-window approximation, specifically designed for on-the-fly simulations of time-resolved nonlinear sp…
Simulation of Pump-Push Molecular Dynamics in the Heptazine-H2O Complex
Sebastian V. Pios, Maxim F. Gelin, Wolfgang Domcke +1
Pump-push-probe spectroscopy was employed for the exploration of charge-separation processes in organic photovoltaic blends as well as for proton-coupled electron-transfer (PCET) r…
Imaging the Photochemistry of the Hydrogen-Bonded Heptazine-Water Complex with Femtosecond Time-Resolved Spectroscopy: A Computational Study
Sebastian V. Pios, Maxim F. Gelin, Wolfgang Domcke +1
Graphitic carbon nitride (-CN) has attracted vast interest as a promising inexpensive metal-free photocatalyst for water splitting with solar photons. The heptazine (Hz) molecul…
Water Oxidation and Hydrogen Evolution with Organic Photooxidants: A Theoretical Perspective
Wolfgang Domcke, Andrzej L. Sobolewski
In this perspective, we discuss a novel water-splitting scenario, namely the direct oxidation of water molecules by organic photooxidants in hydrogen-bonded chromophore-water compl…
Are Heptazine-Based Organic Light-Emitting Diode (OLED) Chromophores Thermally Activated Delayed Fluorescence (TADF) or Inverted Singlet-Triplet (IST) Systems?
Andrzej L. Sobolewski, Wolfgang Domcke
Two chromophores derived from heptazine, HAP-3MF and HAP-3TPA, were synthesized and tested as emitters in light-emitting diodes (OLEDs) by Adachi and coworkers. Both emitters were…