Delocalised kinetic Monte Carlo for simulating delocalisation-enhanced charge and exciton transport in disordered materials-Reference-Cited by-同舟云学术

Delocalised kinetic Monte Carlo for simulating delocalisation-enhanced charge and exciton transport in disordered materials

Published:2021 Issue:6 Volume:12 Page:2276-2285
ISSN:2041-6520
Container-title:Chemical Science
language:en
Short-container-title:Chem. Sci.

Author:

Balzer Daniel¹²³^ORCID,Smolders Thijs J. A. M.¹²³⁴⁵^ORCID,Blyth David⁶⁷⁸³,Hood Samantha N.⁶⁷⁸³^ORCID,Kassal Ivan¹²³^ORCID

Affiliation:

1. School of Chemistry and University of Sydney Nano Institute

2. University of Sydney

3. Australia

4. Institute for Molecules and Materials

5. Radboud University

6. School of Mathematics and Physics

7. University of Queensland

8. St. Lucia

Abstract

The first three-dimensional model of transport in moderately disordered materials shows that a little delocalisation can dramatically enhance mobilities.

Funder

National Computational Infrastructure

University of Sydney

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2021/SC/D0SC04116E

Reference63 articles.

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2. Charge Transport in Molecular Materials: An Assessment of Computational Methods

3. Absence of Diffusion in Certain Random Lattices

4. Electrons in lattice fields

5. Studies of polaron motion

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