The DOI matches its Crossref record; 22 of the 22 references it cites were found in a registry or an index.
Dynamics of the Intermolecular Transfer Integral in Crystalline Organic Semiconductors
Abstract
In organic crystalline semiconductor molecular components are held together by very weak interactions and the transfer integrals between neighboring molecular orbitals are extremely sensitive to small nuclear displacements. We used a mixed quantum chemical and molecular dynamic methodology to assess the effect of nuclear dynamics on the modulation of the transfer integrals between close molecules. We have found that the fluctuations of the transfer integrals are of the same order of magnitude of their average value for pentacene and anthracene. Under these conditions the usual perturbative treatment of the electron-phonon coupling is invalid, the band description of the crystal breaks down and the charge carriers become localized. Organic crystals of pentacene and anthracene, even in the absence of defects, can be regarded as disordered media with respect to their charge transport properties. These results suggest that the dynamic electronic disorder can be the factor limiting the charge mobility in crystalline organic semiconductors.
Overview
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Integrity signals
Registry
Cites
Statistics
Verification
Claims the paper makes
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Self-check
Percentages, sums and reported differences re-computed from the paper’s own numbers.
The self-check needs the paper’s full text.
Citations
Cites
Molecular dynamics with coupling to an external bath
Berendsen, H. J. C., Postma, J. P. M., van Gunsteren, W. F., DiNola, A., & Haak, J. R. (1984) · The Journal of Chemical Physics · doi:10.1063/1.448118 · Cited by 30,700
Absence of Diffusion in Certain Random Lattices
Anderson, P. W. (1958) · Physical Review · doi:10.1103/physrev.109.1492 · Cited by 12,468
Mahan, G. D. (2000) · doi:10.1007/978-1-4757-5714-9 · Cited by 8,249
Lee, P. A., & Ramakrishnan, T. V. (1985) · Reviews of Modern Physics · doi:10.1103/revmodphys.57.287 · Cited by 6,110
Organic Thin Film Transistors for Large Area Electronics
Dimitrakopoulos, C. D., & Malenfant, P. R. L. (2002) · Advanced Materials · doi:10.1002/1521-4095(20020116)14:2<99::aid-adma99>3.0.co;2-9 · Cited by 4,878
(2012) · The Electron Glass · doi:10.1017/cbo9780511978999.002 · Cited by 3,258
Rattle: A “velocity” version of the shake algorithm for molecular dynamics calculations
Andersen, H. C. (1983) · Journal of Computational Physics · doi:10.1016/0021-9991(83)90014-1 · Cited by 3,081
Brédas, J.-L., Beljonne, D., Coropceanu, V., & Cornil, J. (2004) · Chemical Reviews · doi:10.1021/cr040084k · Cited by 2,878
Introduction to Organic Thin Film Transistors and Design of n-Channel Organic Semiconductors
Newman, C. R., Frisbie, C. D., da Silva Filho, D. A., Brédas, J.-L., Ewbank, P. C., & Mann, K. R. (2004) · Chemistry of Materials · doi:10.1021/cm049391x · Cited by 1,357
Chang, J.-F., Sun, B., Breiby, D. W., Nielsen, M. M., Sölling, T. I., Giles, M., McCulloch, I., & Sirringhaus, H. (2004) · Chemistry of Materials · doi:10.1021/cm049617w · Cited by 944
Cited by
Charge Transport in Organic Semiconductors
Coropceanu, V., Cornil, J., da Silva Filho, D. A., Olivier, Y., Silbey, R., & Brédas, J.-L. (2007) · Chemical Reviews · doi:10.1021/cr050140x · Cited by 4,607
The Larger Acenes: Versatile Organic Semiconductors
Anthony, J. E. (2008) · Angewandte Chemie International Edition · doi:10.1002/anie.200604045 · Cited by 2,100
The PYXAID Program for Non-Adiabatic Molecular Dynamics in Condensed Matter Systems
Akimov, A. V., & Prezhdo, O. V. (2013) · Journal of Chemical Theory and Computation · doi:10.1021/ct400641n · Cited by 818
Haneef, H. F., Zeidell, A. M., & Jurchescu, O. D. (2020) · Journal of Materials Chemistry C · doi:10.1039/c9tc05695e · Cited by 720
Höhere Acene: vielseitige organische Halbleiter
Anthony, J. E. (2008) · Angewandte Chemie · doi:10.1002/ange.200604045 · Cited by 490
Metadata
- Authors
- Troisi, A., & Orlandi, G.
- Venue
- The Journal of Physical Chemistry A
- Publisher
- American Chemical Society (ACS)
- Published
- 2006-02-18
- Volume
- 110
- Issue
- 11
- Pages
- 4065-4070
- ISSN
- 1089-5639 (ISSN-L)
- 1520-5215
- OpenAlex
- W2006118829
- Cited by
- 379
- References
- 22
- FWCI
- 15.52
- Type
- journal article
- Language
- en
- Open access
- closed
About these checks
Registry, retraction, Cites and statistics results are computed, not judged, with one exception: a printed reference that no index lists is read once by a model before it counts as a citation error. Claims are extracted by a model and kept only when their quote appears verbatim in the text; each cited source is then checked, with a model’s help, for whether it says what the claim relies on. Those verdicts can be wrong — read the claim’s quote and the cited source before relying on one.
Statistics and arithmetic are recomputed, not judged.
Confidence bands are shown only for fields calibrated on our annotated test set. None is calibrated yet, so no band is shown.
What counts as a claim ›How we measure confidence ›How we check this ›
Are you an author, or do you see a problem with this page? Request a review
How to cite
Cite CoChat for the checks on this page, and the paper for its own findings.
- This page
- CoChat. (2026). Citation check: Dynamics of the Intermolecular Transfer Integral in Crystalline Organic Semiconductors. https://app.cochat.ai/papers/10.1021/jp055432g
- The paper
- Troisi, A., & Orlandi, G. (2006). Dynamics of the Intermolecular Transfer Integral in Crystalline Organic Semiconductors. The Journal of Physical Chemistry A. https://doi.org/10.1021/jp055432g
Data sources
Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
