Transparent and colorless dye-sensitized solar cells exceeding 75% average visible transmittance

W Naim, V Novelli, I Nikolinakos, N Barbero, I Dzeba… - Jacs Au, 2021 - ACS Publications
Most photovoltaic (PV) technologies are opaque to maximize visible light absorption.
However, see-through solar cells open additional perspectives for PV integration. Looking …

Quantum dynamical studies of ultrafast charge separation in nanostructured organic polymer materials: Effects of vibronic interactions and molecular packing

M Polkehn, P Eisenbrandt, H Tamura… - … Journal of Quantum …, 2018 - Wiley Online Library
We review recent work employing high‐dimensional quantum dynamical techniques to
study ultrafast charge separation in functional organic materials, in view of understanding …

Exciton binding energy in molecular triads

S Kraner, G Prampolini, G Cuniberti - The Journal of Physical …, 2017 - ACS Publications
The power conversion efficiency of state of the art organic photovoltaics is predicted to be
limited at about 15%. This limit can be increased by an improved charge carrier mobility and …

Molecular Donor–Acceptor Dyads for Efficient Single‐Material Organic Solar Cells

S Lucas, J Kammerer, M Pfannmöller, RR Schröder… - Solar …, 2021 - Wiley Online Library
Single‐material organic solar cells (SMOSCs) promise several advantages with respect to
prospective applications in printed large‐area solar foils. Only one photoactive material has …

[HTML][HTML] Design and Development of DAD Organic Material for Solution-Processed Organic/Si Hybrid Solar Cells with 17.5% Power Conversion Efficiency

F Ullah, K Hasrat, S Iqbal, S Wang - Molecules, 2024 - mdpi.com
Organic/silicon hybrid solar cells have attracted much interest due to their cheap fabrication
process and simple device structure. A category of organic substances, Dibenzothiophene …

Towards panchromatic Fe (II) NHC sensitizers via HOMO inversion

AR Marri, B Marekha, T Penfold, S Haacke… - Inorganic Chemistry …, 2023 - pubs.rsc.org
A combined experimental and theoretical study of iron (II) complexes with pyridyl N-
heterocyclic carbene ligands is presented, with a new focus on the effect of extending the …

[HTML][HTML] Semiclassical instanton formulation of Marcus–Levich–Jortner theory

ER Heller, JO Richardson - The Journal of chemical physics, 2020 - pubs.aip.org
Marcus–Levich–Jortner (MLJ) theory is one of the most commonly used methods for
including nuclear quantum effects in the calculation of electron-transfer rates and for …

Quantum dynamics of electron–hole separation in stacked perylene diimide-based self-assembled nanostructures

D Brey, W Popp, P Budakoti, G d'Avino… - The Journal of …, 2021 - ACS Publications
We report on high-dimensional quantum dynamical simulations of electron–hole separation
in self-assembled mesomorphic nanostructures composed of donor–acceptor conjugated co …

Molecular packing determines charge separation in a liquid crystalline bisthiophene–perylene diimide donor–acceptor material

M Polkehn, H Tamura, P Eisenbrandt… - The journal of …, 2016 - ACS Publications
Combined electronic structure and quantum dynamical calculations are employed to
investigate charge separation in a novel class of covalently bound bisthiophene–perylene …

Electron–hole separation in perylene diimide based self-assembled nanostructures: microelectrostatics analysis and kinetic Monte Carlo simulations

G D'Avino, R Hegger, D Brey, PK Budakoti… - The Journal of …, 2022 - ACS Publications
Electron–hole separation in self-assembled mesomorphic nanostructures composed of
donor–acceptor (DA) co-oligomers is investigated by combined microelectrostatics and …