Organic semiconductor crystals

C Wang, H Dong, L Jiang, W Hu - Chemical Society Reviews, 2018 - pubs.rsc.org
Organic semiconductors have attracted a lot of attention since the discovery of highly doped
conductive polymers, due to the potential application in field-effect transistors (OFETs), light …

Computational approaches for organic semiconductors: from chemical and physical understanding to predicting new materials

V Bhat, CP Callaway, C Risko - Chemical Reviews, 2023 - ACS Publications
While a complete understanding of organic semiconductor (OSC) design principles remains
elusive, computational methods─ ranging from techniques based in classical and quantum …

Charge-transfer electronic states in organic solar cells

V Coropceanu, XK Chen, T Wang, Z Zheng… - Nature Reviews …, 2019 - nature.com
In organic solar cells, the charge-transfer (CT) electronic states that form at the interface
between the electron-donor (D) and electron-acceptor (A) materials have a crucial role in …

Critical assessment of charge mobility extraction in FETs

HH Choi, K Cho, CD Frisbie, H Sirringhaus… - Nature materials, 2018 - nature.com
Mobility is an important charge-transport parameter in organic, inorganic and hybrid
semiconductors. We outline some of the common pitfalls of mobility extraction from field …

Molecular semiconductors for logic operations: dead‐end or bright future?

G Schweicher, G Garbay, R Jouclas, F Vibert… - Advanced …, 2020 - Wiley Online Library
The field of organic electronics has been prolific in the last couple of years, leading to the
design and synthesis of several molecular semiconductors presenting a mobility in excess of …

The transient localization scenario for charge transport in crystalline organic materials

S Fratini, D Mayou, S Ciuchi - Advanced Functional Materials, 2016 - Wiley Online Library
Charge transport in crystalline organic semiconductors is intrinsically limited by the
presence of large thermal molecular motions, which are a direct consequence of the weak …

Chasing the “killer” phonon mode for the rational design of low‐disorder, high‐mobility molecular semiconductors

G Schweicher, G d'Avino, MT Ruggiero… - Advanced …, 2019 - Wiley Online Library
Molecular vibrations play a critical role in the charge transport properties of weakly van der
Waals bonded organic semiconductors. To understand which specific phonon modes …

From charge transport parameters to charge mobility in organic semiconductors through multiscale simulation

Z Shuai, H Geng, W Xu, Y Liao, JM André - Chemical Society Reviews, 2014 - pubs.rsc.org
This review introduces the development and application of a multiscale approach to assess
the charge mobility for organic semiconductors, which combines quantum chemistry, Kinetic …

Computational investigations of the detailed mechanism of reverse intersystem crossing in inverted singlet–triplet gap molecules

D Valverde, CT Ser, G Ricci, K Jorner… - … Applied Materials & …, 2024 - ACS Publications
Inverted singlet–triplet gap (INVEST) materials have promising photophysical properties for
optoelectronic applications due to an inversion of their lowest singlet (S1) and triplet (T1) …