Beyond Shockley–Queisser: molecular approaches to high-efficiency photovoltaics

MJY Tayebjee, DR McCamey… - The journal of physical …, 2015 - ACS Publications
Molecular materials afford abundant flexibility in the tunability of physical and electronic
properties. As such, they are ideally suited to engineering low-cost, flexible, light-harvesting …

Hot Charge-Transfer States Determine Exciton Dissociation in the DTDCTB/C60 Complex for Organic Solar Cells: A Theoretical Insight

X Shen, G Han, D Fan, Y Xie, Y Yi - The Journal of Physical …, 2015 - ACS Publications
To understand charge-transfer (CT) processes at the donor/acceptor interface of
DTDCTB/fullerene solar cells, we have investigated the electronic couplings and the rates …

Organic Donor‐Acceptor Complexes As Potential Semiconducting Materials

C Mathur, R Gupta, RK Bansal - Chemistry–A European …, 2024 - Wiley Online Library
In this review article, the synthesis, characterization and physico‐chemical properties of the
organic donor‐acceptor complexes are highlighted and a special emphasis has been …

Rubrene-Directed Structural Transformation of Fullerene (C60) Microsheets to Nanorod Arrays with Enhanced Photoelectrochemical Properties

N Chen, P Yu, K Guo, X Lu - Nanomaterials, 2022 - mdpi.com
One-dimensional (1D) nanostructures possess huge potential in electronics and
optoelectronics, but the axial alignment of such 1D structures is still a challenging task …

Atomistic approach to simulate processes relevant for the efficiencies of organic solar cells as a function of molecular properties. II. Kinetic aspects

C Brückner, F Würthner, K Meerholz… - The Journal of …, 2017 - ACS Publications
The individual steps of the light-to-energy conversion process in the vicinity of the interfaces
of organic solar cells are investigated with kinetic Monte Carlo simulations employing …

Transient monolayer structure of rubrene on graphite: impact on hole–phonon coupling

Y He, F Bussolotti, Q Xin, J Yang, S Kera… - The Journal of …, 2016 - ACS Publications
Charge transport in molecular thin films is often dominated by incoherent hopping
processes, and charge-carrier phonon coupling plays a major role in defining mobilities. Our …

Theoretical study on the charge transfer mechanism at donor/acceptor interface: Why TTF/TCNQ is inadaptable to photovoltaics?

SB Li, Y Geng, YA Duan, GY Sun, M Zhang… - The Journal of …, 2016 - pubs.aip.org
A combined molecular dynamics (MD) and quantum chemical (QC) simulation method is
utilized to investigate charge generation mechanism at TTF/TCNQ (tetrathiafulvalene …

Photoemission Study of Charge Transfer between ET (BEDT-TTF) and Acceptors F6TCNNQ and F2TCNQ

R Kuhrt, M Hantusch, B Buechner… - The Journal of Physical …, 2021 - ACS Publications
The electronic properties of organic semiconductors can be modified by a charge transfer to
electron accepting molecules. In this study, the charge transfer reactions between BEDT-TTF …

Impact of molecular organization on exciton diffusion in photosensitive single-crystal halogenated perylenediimides charge transfer interfaces

RM Pinto, W Gouveia, EMS Maçôas… - … Applied Materials & …, 2015 - ACS Publications
The efficiency of organic photodetectors and optoelectronic devices is strongly limited by
exciton diffusion, in particular for acceptor materials. Although mechanisms for exciton …

Interplay between efficiency and device architecture for small molecule organic solar cells

G Williams, S Sutty, H Aziz - Physical Chemistry Chemical Physics, 2014 - pubs.rsc.org
Small molecule organic solar cells (OSCs) have experienced a resurgence of interest over
their polymer solar cell counterparts, owing to their improved batch-to-batch (thus, cell-to …