Non-adiabatic excited-state molecular dynamics: Theory and applications for modeling photophysics in extended molecular materials
Optically active molecular materials, such as organic conjugated polymers and biological
systems, are characterized by strong coupling between electronic and vibrational degrees of …
systems, are characterized by strong coupling between electronic and vibrational degrees of …
Charge-Transfer luminescence in a molecular donor–acceptor complex: computational insights
Donor–acceptor molecular complexes are a popular class of materials utilizing charge-
transfer states for practical applications. A recent class of donor–acceptor dyads based on …
transfer states for practical applications. A recent class of donor–acceptor dyads based on …
Ultrafast, asymmetric charge transfer and slow charge recombination in porphyrin/CNT composites demonstrated by time-domain atomistic simulation
The versatile photochemical properties of porphyrin molecules make them excellent
candidates for solar energy applications. Carbon nanotubes (CNTs) exhibit superior charge …
candidates for solar energy applications. Carbon nanotubes (CNTs) exhibit superior charge …
Effects of molecular orientation of a fullerene derivative at the donor/acceptor interface on the device performance of organic photovoltaics
Designing donor/acceptor (D/A) interfaces that can efficiently generate free carriers is an
attractive research target for organic photovoltaics (OPVs). While many reports suggest that …
attractive research target for organic photovoltaics (OPVs). While many reports suggest that …
Bulk Heterojunction Solar Cells: Insight into Ternary Blends from a Characterization of the Intermolecular Packing and Electronic Properties in the Corresponding …
A Ashokan, T Wang, V Coropceanu… - Advanced Theory and …, 2020 - Wiley Online Library
While adding a third component to a binary blend in the active layer of an organic solar cell
is a promising approach to improve device performance, the control of active‐layer …
is a promising approach to improve device performance, the control of active‐layer …
[PDF][PDF] Article type: Full Paper
A Ashokan, T Wang, V Coropceanu, JL Brédas - academia.edu
While adding a third component to a binary blend in the active layer of an organic solar cell
is a promising approach to improve device performance, the control of active-layer …
is a promising approach to improve device performance, the control of active-layer …
Solvent Effects And Charge Transfer States In Organic Photovoltaics
K Liu - 2019 - digitalcommons.wayne.edu
Due to their various advantages, including lightweight, flexible, and cheap manufacturing,
organic photovoltaic materials have gained enormous research interest. Over nearly two …
organic photovoltaic materials have gained enormous research interest. Over nearly two …
Solvent effects and charge transfer states in organic photovoltaics: a time-dependent density functional theory study on the PCPDTBT: PCBM low band gap system
Long-range corrected time-dependent density functional theory has been used to study the
solvent effect on excited state properties of PCPDTBT: PCBM (Poly [2, 6-(4, 4-dimethyl-4H …
solvent effect on excited state properties of PCPDTBT: PCBM (Poly [2, 6-(4, 4-dimethyl-4H …