Influence of blend microstructure on bulk heterojunction organic photovoltaic performance

CJ Brabec, M Heeney, I McCulloch… - Chemical Society …, 2011 - pubs.rsc.org
The performance of organic photovoltaic devices based upon bulk heterojunction blends of
donor and acceptor materials has been shown to be highly dependent on the thin film …

Charge carrier transport and photogeneration in P3HT: PCBM photovoltaic blends

F Laquai, D Andrienko, R Mauer… - Macromolecular rapid …, 2015 - Wiley Online Library
This article reviews the charge transport and photogeneration in bulk‐heterojunction solar
cells made from blend films of regioregular poly (3‐hexylthiophene)(RR‐P3HT) and …

Controlling conformations of conjugated polymers and small molecules: The role of nonbonding interactions

NE Jackson, BM Savoie, KL Kohlstedt… - Journal of the …, 2013 - ACS Publications
The chemical variety present in the organic electronics literature has motivated us to
investigate potential nonbonding interactions often incorporated into conformational …

25th anniversary article: high‐mobility hole and electron transport conjugated polymers: how structure defines function

Y Olivier, D Niedzialek, V Lemaur, W Pisula… - Advanced …, 2014 - Wiley Online Library
The structural organization of three different families of semicrystalline π‐conjugated
polymers is reported (poly (3‐hexylthiophene)(P3HT), poly [2, 6‐(4, 4‐bis‐alkyl‐4H …

Electronic energy transfer and quantum-coherence in π-conjugated polymers

I Hwang, GD Scholes - Chemistry of Materials, 2011 - ACS Publications
Electronic energy transfer (EET) has been the subject of intense research because of its
significant contribution to the photophysical properties of various material systems. For π …

Controlled conjugated backbone twisting for an increased open-circuit voltage while having a high short-circuit current in poly (hexylthiophene) derivatives

S Ko, ET Hoke, L Pandey, S Hong… - Journal of the …, 2012 - ACS Publications
Conjugated polymers with nearly planar backbones have been the most commonly
investigated materials for organic-based electronic devices. More twisted polymer …

Coarse-grained computer simulations of polymer/fullerene bulk heterojunctions for organic photovoltaic applications

DM Huang, R Faller, K Do… - Journal of Chemical Theory …, 2010 - ACS Publications
We develop coarse-grained (CG) computer simulation models of poly (3-
hexylthiophene)(P3HT) and P3HT/fullerene-C60 mixtures, in which collections of atoms from …

First-principles theoretical designing of planar non-fullerene small molecular acceptors for organic solar cells: manipulation of noncovalent interactions

A Mahmood, A Tang, X Wang, E Zhou - Physical Chemistry Chemical …, 2019 - pubs.rsc.org
Non-fullerene small molecular acceptors (NFSMAs) exhibit promising photovoltaic
performance; however, their electron mobilities are still relatively lower than those of …

Accurate force field development for modeling conjugated polymers

KH DuBay, ML Hall, TF Hughes, C Wu… - Journal of chemical …, 2012 - ACS Publications
The modeling of the conformational properties of conjugated polymers entails a unique
challenge for classical force fields. Conjugation imposes strong constraints upon bond …

Ring substituents mediate the morphology of PBDTTPD-PCBM bulk-heterojunction solar cells

J Warnan, A El Labban, C Cabanetos… - Chemistry of …, 2014 - ACS Publications
Among π-conjugated polymer donors for efficient bulk-heterojunction (BHJ) solar cell
applications, poly (benzo [1, 2-b: 4, 5-b′] dithiophene–thieno [3, 4-c] pyrrole-4, 6 …