Giannini, S;
Carof, A;
Ellis, M;
Yang, H;
Ziogos, OG;
Ghosh, S;
Blumberger, J;
(2019)
Quantum localization and delocalization of charge carriers in organic semiconducting crystals.
Nature Communications
, 10
, Article 3843. 10.1038/s41467-019-11775-9.
Preview |
Text
Blumberger VoR s41467-019-11775-9.pdf - Published Version Download (1MB) | Preview |
Abstract
Charge carrier transport in organic semiconductors is at the heart of many revolutionary technologies ranging from organic transistors, light-emitting diodes, flexible displays and photovoltaic cells. Yet, the nature of charge carriers and their transport mechanism in these materials is still unclear. Here we show that by solving the time-dependent electronic Schrödinger equation coupled to nuclear motion for eight organic molecular crystals, the excess charge carrier forms a polaron delocalized over up to 10–20 molecules in the most conductive crystals. The polaron propagates through the crystal by diffusive jumps over several lattice spacings at a time during which it expands more than twice its size. Computed values for polaron size and charge mobility are in excellent agreement with experimental estimates and correlate very well with the recently proposed transient localization theory
| Type: | Article |
|---|---|
| Title: | Quantum localization and delocalization of charge carriers in organic semiconducting crystals |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1038/s41467-019-11775-9 |
| Publisher version: | https://doi.org/10.1038/s41467-019-11775-9 |
| Language: | English |
| Additional information: | This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/. |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Physics and Astronomy |
| URI: | https://discovery-pp.ucl.ac.uk/id/eprint/10080652 |
Archive Staff Only
 |
View Item |
