Hybridization of local exciton and charge-transfer states reduces nonradiative voltage losses in organic solar cells

FD Eisner, M Azzouzi, Z Fei, X Hou… - Journal of the …, 2019 - ACS Publications
A number of recent studies have shown that the nonradiative voltage losses in organic solar
cells can be suppressed in systems with low energetic offsets between donor and acceptor …

Utilizing noncovalent conformational locks to create through-space charge transport

Z Wang, M Huang, J Dong, X Wang, Y Li… - The Journal of …, 2023 - ACS Publications
Creating through-space electron transport (ET) channels in the molecular backbone has
been rarely explored in molecular electronics. Here, we demonstrated that through-space …

The calculation of DA-π-AD hole transfer materials containing fluoranthene core for efficient perovskite solar cells

M Zaboli, Z Shariatinia - Materials Today Communications, 2023 - Elsevier
In this work, an inexpensive, effective, and dopant-free hole transport material (HTM) of DA-
π-AD (D= donor, A= acceptor) molecular configuration, called DTB-FL was selected as the …

Molecular engineering of hexaazatriphenylene derivatives toward more efficient electron-transporting materials for inverted perovskite solar cells

R Zhu, QS Li, ZS Li - ACS applied materials & interfaces, 2020 - ACS Publications
The electron-transporting material (ETM) in inverted perovskite solar cells (PSCs) plays
important role in reducing hysteresis and realizing simple processing procedures, while the …

Charge-transfer mobility and electrical conductivity of PANI as conjugated organic semiconductors

Y Zhang, Y Duan, L Song, D Zheng, M Zhang… - The Journal of …, 2017 - pubs.aip.org
The intramolecular charge transfer properties of a phenyl-end-capped aniline tetramer
(ANIH) and a chloro-substituted derivative (ANICl) as organic semiconductors were …

Bromination and cyanation for improving electron transport performance of anthra-tetrathiophene

J Yin, K Chaitanya, XH Ju - Journal of Materials Research, 2016 - cambridge.org
The charge transport properties of anthra-tetrathiophene (ATT) and its brominated and
cyanated derivatives (TBATT and TCATT) were investigated by the density functional theory …

The impact of diperfluorophenyl and thienyl substituents on the electronic structures and charge transport properties of the fused thiophene semiconductors

L Wang, J Dai, Y Song - International Journal of Quantum …, 2019 - Wiley Online Library
The charge transport properties of 3 fused thiophene semiconductors, end‐capped with
diperfluorophenylthien‐2‐yl (DFPT) groups (DFPT‐thieno [2′, 3′: 4, 5] thieno [3, 2‐b] …

Terminal modulation in search of a balance between hole transport and electron transfer at the interface for BODIPY-based organic solar cells

ZW Zhao, QQ Pan, YC Duan, Y Wu… - The Journal of …, 2019 - ACS Publications
Organic solar cells (OSCs) have made rapid advances in power conversion efficiency during
the past decades, which is boosted partly by the various designs of new materials …

Theoretical investigations on charge transfer properties of fluorinated perylene diimides

M Liang, J Yin, K Chaitanya, XH Ju - Journal of Theoretical and …, 2016 - World Scientific
The charge transport properties of perylene diimide (PDI) and its fluorinated derivatives
were explored by density functional theory (DFT) coupled with the incoherent charge …

Theoretical study of the optical and charge transport properties in non-peripherally octasubstituted phthalocyanine–tetrabenzoporphyrin hybrids

Z Chen, W Yu - Molecular Physics, 2017 - Taylor & Francis
The charge transfer rate of seven non-peripherally phthalocyanine–tetrabenzoporphyrin
hybrids was investigated theoretically at the level of B3LYP/6-31+ G (d, p) using density …