Computational approaches for organic semiconductors: from chemical and physical understanding to predicting new materials
While a complete understanding of organic semiconductor (OSC) design principles remains
elusive, computational methods─ ranging from techniques based in classical and quantum …
elusive, computational methods─ ranging from techniques based in classical and quantum …
Transport of ions and electrons in nanostructured liquid crystals
The nanosegregated structures of columnar, smectic and bicontinuous cubic liquid crystals
can provide well-organized, nano-and sub-nanosized 1D, 2D and 3D channels capable of …
can provide well-organized, nano-and sub-nanosized 1D, 2D and 3D channels capable of …
Nitrogen-containing perylene diimides: Molecular design, robust aggregated structures, and advances in n-type organic semiconductors
Conspectus Organic semiconductors (OSCs) have attracted much attention because of their
potential applications for flexible and printed electronic devices and thus have been …
potential applications for flexible and printed electronic devices and thus have been …
Electrostatic phenomena in organic semiconductors: fundamentals and implications for photovoltaics
This review summarizes the current understanding of electrostatic phenomena in ordered
and disordered organic semiconductors, outlines numerical schemes developed for …
and disordered organic semiconductors, outlines numerical schemes developed for …
Impact of mesoscale order on open-circuit voltage in organic solar cells
Structural order in organic solar cells is paramount: it reduces energetic disorder, boosts
charge and exciton mobilities, and assists exciton splitting. Owing to spatial localization of …
charge and exciton mobilities, and assists exciton splitting. Owing to spatial localization of …
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 …
Charge separation and recombination at polymer–fullerene heterojunctions: Delocalization and hybridization effects
We address charge separation and recombination in polymer/fullerene solar cells with a
multiscale modeling built from accurate atomistic inputs and accounting for disorder …
multiscale modeling built from accurate atomistic inputs and accounting for disorder …
Local excitation/charge-transfer hybridization simultaneously promotes charge generation and reduces nonradiative voltage loss in nonfullerene organic solar cells
High power conversion efficiencies in state-of-the-art nonfullerene organic solar cells (NF
OSCs) call for elucidation of the underlying working mechanisms of both high photocurrent …
OSCs) call for elucidation of the underlying working mechanisms of both high photocurrent …
Simulating charge transport in organic semiconductors and devices: a review
C Groves - Reports on Progress in Physics, 2016 - iopscience.iop.org
Charge transport simulation can be a valuable tool to better understand, optimise and
design organic transistors (OTFTs), photovoltaics (OPVs), and light-emitting diodes (OLEDs) …
design organic transistors (OTFTs), photovoltaics (OPVs), and light-emitting diodes (OLEDs) …
Design rules for organic donor–acceptor heterojunctions: pathway for charge splitting and detrap**
Organic solar cells rely on the conversion of a Frenkel exciton into free charges via a charge-
transfer state formed on a molecular donor–acceptor pair. These charge-transfer states are …
transfer state formed on a molecular donor–acceptor pair. These charge-transfer states are …