From molecular packing structures to electronic processes: theoretical simulations for organic solar cells
Molecular packing structures in the active layers have a crucial impact on the electronic
processes for organic solar cells. To date, however, it is still difficult to probe molecular self …
processes for organic solar cells. To date, however, it is still difficult to probe molecular self …
Quantum modeling of ultrafast photoinduced charge separation
Phenomena involving electron transfer are ubiquitous in nature, photosynthesis and
enzymes or protein activity being prominent examples. Their deep understanding thus …
enzymes or protein activity being prominent examples. Their deep understanding thus …
Efficient charge separation of cold charge-transfer states in organic solar cells through incoherent hopping
S Athanasopoulos, S Tscheuschner… - The journal of …, 2017 - ACS Publications
We demonstrate that efficient and nearly field-independent charge separation of electron–
hole pairs in organic planar heterojunction solar cells can be described by an incoherent …
hole pairs in organic planar heterojunction solar cells can be described by an incoherent …
The impact of driving force and temperature on the electron transfer in donor–acceptor blend systems
We discuss whether electron transfer from a photoexcited polymer donor to a fullerene
acceptor in an organic solar cell is tractable in terms of Marcus theory, and whether the …
acceptor in an organic solar cell is tractable in terms of Marcus theory, and whether the …
The enhancement of interfacial exciton dissociation by energetic disorder is a nonequilibrium effect
The dissociation of excited electron–hole pairs is a microscopic process that is fundamental
to the performance of photovoltaic systems. For this process to be successful, the oppositely …
to the performance of photovoltaic systems. For this process to be successful, the oppositely …
Generalization on entropy-ruled charge and energy transport for organic solids and biomolecular aggregates
K Navamani, K Rajkumar - ACS omega, 2022 - ACS Publications
Herein, a generalized version of the entropy-ruled charge and energy transport mechanism
for organic solids and biomolecular aggregates is presented. The effects of thermal disorder …
for organic solids and biomolecular aggregates is presented. The effects of thermal disorder …
Spontaneous exciton dissociation at organic semiconductor interfaces facilitated by the orientation of the delocalized electron–hole wavefunction
TR Kafle, B Kattel, S Wanigasekara… - Advanced Energy …, 2020 - Wiley Online Library
In organic semiconductors, optical excitation does not necessarily produce free carriers.
Very often, electron and hole are bound together to form an exciton. Releasing free carriers …
Very often, electron and hole are bound together to form an exciton. Releasing free carriers …
Exploring what prompts ITIC to become a superior acceptor in organic solar cell by combining molecular dynamics simulation with quantum chemistry calculation
QQ Pan, SB Li, YC Duan, Y Wu, J Zhang… - Physical Chemistry …, 2017 - pubs.rsc.org
The interface characteristic is a crucial factor determining the power conversion efficiency of
organic solar cells (OSCs). In this work, our aim is to conduct a comparative study on the …
organic solar cells (OSCs). In this work, our aim is to conduct a comparative study on the …
Ultrafast Coherent Hole Injection at the Interface between CuSCN and Polymer PM6 Using Femtosecond Mid-Infrared Spectroscopy
Tracking the dynamics of ultrafast hole injection into copper thiocyanate (CuSCN) at the
interface can be experimentally challenging. These challenges include restrictions in …
interface can be experimentally challenging. These challenges include restrictions in …
Charge dynamics in organic photovoltaic materials: Interplay between quantum diffusion and quantum relaxation
This paper discusses the mechanism of generation of free charges in organic photovoltaic
cells (OPV) from electrostatically bound electron–hole pairs. The efficiency of this process is …
cells (OPV) from electrostatically bound electron–hole pairs. The efficiency of this process is …