Bright Frenkel excitons in molecular crystals: a survey

T Nematiaram, D Padula, A Troisi - Chemistry of Materials, 2021 - ACS Publications
We computed the optical properties of a large set of molecular crystals (∼ 2200 structures)
composed of molecules whose lowest excited states are strongly coupled and generate …

Simple Floquet-Wannier-Stark-Andreev viewpoint and emergence of low-energy scales in a voltage-biased three-terminal Josephson junction

R Mélin, JG Caputo, K Yang, B Douçot - Physical Review B, 2017 - APS
A three-terminal Josephson junction consists of three superconductors coupled coherently
to a small nonsuperconducting island, such as a diffusive metal, a single or double quantum …

Feasibility of p-doped molecular crystals as transparent conductive electrodes via virtual screening

T Nematiaram, A Troisi - Chemistry of Materials, 2022 - ACS Publications
Transparent conducting materials are an essential component of optoelectronic devices. It is
proven difficult, however, to develop high-performance materials that combine the often …

Surface plasmon polariton-controlled molecular switch

A Giguère, M Ernzerhof, D Mayou - The Journal of Physical …, 2018 - ACS Publications
Molecular electronic devices are studied extensively to explore their potential use in
electronics and also to gain an understanding of the mechanisms of electron transport at the …

Model for the dynamics of carrier injection in a band with polaronic states: Application to exciton dissociation in organic solar cells

K Chika, A Perrin, J Jemaa Khabthani, G Jemaï… - Physical Review B, 2022 - APS
We develop a quantum model for the dynamics of carrier injection in a band that presents a
strong carrier-vibration coupling. This coupling modifies the spectral density of the band and …

Impact of electron–phonon coupling on the quantum yield of photovoltaic devices

T Nematiaram, A Asgari, D Mayou - The Journal of Chemical Physics, 2020 - pubs.aip.org
In describing the charge carriers' separation mechanism in the organic solar cell, providing a
method, which considers the impact of all parameters of interest on the same footing within …

The impact of long-range electron-hole interaction on the charge separation yield of molecular photocells

T Nemati Aram, M Ernzerhof, A Asgari… - The Journal of Chemical …, 2017 - pubs.aip.org
We discuss the effects of charge carrier interaction and recombination on the operation of
molecular photocells. Molecular photocells are devices where the energy conversion …

Quantum modeling of two-level photovoltaic systems

TN Aram, A Asgari, M Ernzerhof, P Quémerais… - Epj photovoltaics, 2017 - epj-pv.org
We present a quantum formalism that provides a quantitative picture of the fundamental
processes of charge separation that follow an absorption event. We apply the formalism to …

Exciton dissociation in organic solar cells: An embedded charge transfer state model

JJ Khabthani, K Chika, A Perrin, D Mayou - arXiv preprint arXiv …, 2024 - arxiv.org
Organic solar cells are a promising avenue for renewable energy, and our study introduces
a comprehensive model to investigate exciton dissociation processes at the donor-acceptor …

Nonequilibrium Thermodynamics of Charge Separation in Organic Solar Cells

W Kaiser, V Janković, N Vukmirović… - The Journal of Physical …, 2021 - ACS Publications
This work presents a novel theoretical description of the nonequilibrium thermodynamics of
charge separation in organic solar cells (OSCs). Using stochastic thermodynamics, we take …