Orbital-resolved visualization of single-molecule photocurrent channels

M Imai-Imada, H Imada, K Miwa, Y Tanaka, K Kimura… - Nature, 2022 - nature.com
Given its central role in utilizing light energy, photoinduced electron transfer (PET) from an
excited molecule has been widely studied,,,,–. However, even though microscopic …

[HTML][HTML] Green's function methods for single molecule junctions

G Cohen, M Galperin - The Journal of chemical physics, 2020 - pubs.aip.org
We present a brief pedagogical review of theoretical Green's function methods applicable to
open quantum systems out of equilibrium, in general, and single molecule junctions, in …

Boosting light emission from single hydrogen phthalocyanine molecules by charging

V Rai, L Gerhard, Q Sun, C Holzer, T Repän… - Nano …, 2020 - ACS Publications
Interest in electroluminescence of single molecules is stimulated by the prospect of possible
applications in novel light emitting devices. Recent studies provide valuable insights into the …

Emergence of Boltzmann Subspaces in Open Quantum Systems Far from Equilibrium

M Iv, S Rahav, U Peskin - Physical Review Letters, 2024 - APS
Single molecule junctions are important examples of complex out-of-equilibrium many-body
quantum systems. We identify a nontrivial clustering of steady state populations into …

Control and enhancement of single-molecule electroluminescence through strong light–matter coupling

K Miwa, S Sakamoto, A Ishizaki - Nano Letters, 2023 - ACS Publications
The energetic positions of molecular electronic states at molecule/electrode interfaces are
crucial factors for determining the transport and optoelectronic properties of molecular …

Two-Dimensional Spectroscopy of Open Quantum Systems: Nonequilibrium Green's Function Formulation

H Sun, U Harbola, S Mukamel… - The Journal of Physical …, 2025 - ACS Publications
Two-dimensional spectroscopy is examined for open quantum systems featuring multiple
simultaneously measurable fluxes. Specifically, we explore a junction where optical …

Evaluation of carbon based molecular junctions as practical photosensors

SK Saxena, UM Tefashe, M Supur, RL McCreery - ACS sensors, 2020 - ACS Publications
Molecular junctions with partially transparent top contacts permit monitoring photocurrents
as probes of transport mechanism and potentially could act as photosensors with …

First-Principles Nonequilibrium Green's Function Approach to Energy Conversion in Nanoscale Optoelectronics

X Wu, R Wang, H Zou, B Song, S Wen… - Journal of Chemical …, 2022 - ACS Publications
Understanding photon-electron conversion on the nanoscale is essential for future
innovations in nano-optoelectronics. In this article, based on nonequilibrium Green's …

Two-dimensional spectroscopy of open quantum systems

H Sun, U Harbola, S Mukamel, M Galperin - arxiv preprint arxiv …, 2024 - arxiv.org
Two-dimensional spectroscopy is discussed for open quantum systems with multiple
simultaneously measurable fluxes. In particular, we discuss a junction where optical …

Insights into the charge separation dynamics in photoexcited molecular junctions

K Beltako, N Cavassilas, M Lannoo… - The Journal of Physical …, 2019 - ACS Publications
The transient dynamics of charge transfer induced by a femtosecond laser pulse at the
donor–acceptor interface of molecular junctions is investigated by means of quantum …