Correlating charge and thermoelectric transport to paracrystallinity in conducting polymers.

Download

10.1038:s41467-020-15399-2.pdf

Date

2020-04-08

Author

Abutaha, A
Kumar, P
Yıldırım, Erol
Shi, W
Yang, SW
Wu, G
Hippalgaonkar, K

Metadata

Show full item record

This work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License.

Item Usage Stats

187
views

106
downloads

The conceptual understanding of charge transport in conducting polymers is still ambiguous due to a wide range of paracrystallinity (disorder). Here, we advance this understanding by presenting the relationship between transport, electronic density of states and scattering parameter in conducting polymers. We show that the tail of the density of states possesses a Gaussian form confirmed by two-dimensional tight-binding model supported by Density Functional Theory and Molecular Dynamics simulations. Furthermore, by using the Boltzmann Transport Equation, we find that transport can be understood by the scattering parameter and the effective density of states. Our model aligns well with the experimental transport properties of a variety of conducting polymers; the scattering parameter affects electrical conductivity, carrier mobility, and Seebeck coefficient, while the effective density of states only affects the electrical conductivity. We hope our results advance the fundamental understanding of charge transport in conducting polymers to further enhance their performance in electronic applications.

Subject Keywords

General Biochemistry, Genetics and Molecular Biology, General Physics and Astronomy, General Chemistry

URI

https://hdl.handle.net/11511/41458

Journal

Nature communications

DOI

https://doi.org/10.1038/s41467-020-15399-2

Collections

Department of Chemistry, Article

Suggestions

OpenMETU
Core

Thermodynamics of a two-dimensional interacting Bose gas trapped in a quartic potential Karabulut, Elife O.; Koyuncu, Mustafa; ATAV, ÜLFET; Tomak, Mehmet (Elsevier BV, 2011-01-17) We have studied the Bose-Einstein condensation (BEC) of an interacting Bose gas confined in a two-dimensional (2D) quartic potential by using a mean-field, semiclassical two-fluid model. A thermodynamic analysis including the chemical potential, condensate fraction, total energy, and specific heat has been carried out by considering different values of the interaction strength. Finally, we have found that the behaviour of the condensate fraction and specific heat of quartically trapped bosons differs from t...
Singularities of spectra of infrared reflection of tertiary compounds of the type T1BX2 Hasanlı, Nızamı; Khomutova, M.D.; Sardarly, R.M.; Tagorov, V.I. (Springer Science and Business Media LLC, 1977-07-01) The frequencies of lattice vibrations are calculated for compounds of the type T1BX2 on the basis of the linear-chain model. The calculated frequencies are compared with experimental values for TlGaS2 and TlGaSe2. The good agreement between the calculated and experimental frequencies serves as proof of the applicability of the linear-chain model to compounds of the T1BX2 type. The proposed method of calculation of frequencies makes it possible to predict the theoretical frequencies of lattice vibrations of ...
Measurement of the inelastic proton-proton cross-section at root s=7 TeV with the ATLAS detector Aad, G.; et. al. (Springer Science and Business Media LLC, 2011-09-01) The dependence of the rate of proton-proton interactions on the centre-of-mass collision energy, root s, is of fundamental importance for both hadron collider physics and particle astrophysics. The dependence cannot yet be calculated from first principles; therefore, experimental measurements are needed. Here we present the first measurement of the inelastic proton-proton interaction cross-section at a centre-of-mass energy, root s, of 7 TeV using the ATLAS detector at the Large Hadron Collider. Events are ...
Progressive structural and electronic properties of nano-structured carbon atomic chains Usanmaz, D.; Srivastava, G. P. (AIP Publishing, 2013-05-21) Ab initio calculations, based on the planewave pseudopotential method and the density functional theory, have been reported on the changes in the electronic and structural properties of short carbon atomic chains held rigidly between hydrogenated thin armchair graphene nanoribbons (N-a-AGNR) of dimer line numbers N-a = 4 and 5. We have considered chains of several lengths (n = 4-9 atoms) and with different forms of attachment with the AGNRs. It is found that odd-numbered chains are metallic in nature, with ...
Zero-field nuclear magnetic resonance of chemically exchanging systems Barskiy, Danila A.; Taylen, Michael C. D.; Marco-Rius, Irene; Kurhanewicz, John; Vigneron, Daniel B.; Çıkrıkcı, Sevil; Aydoğdu, Ayça; Reh, Moritz; Pravdivtsev, Andrey N.; Hoevener, Jan-Bernd; Blanchard, John W.; Wu, Teng; Budker, Dmitry; Pines, Alexander (Springer Science and Business Media LLC, 2019-07-05) Zero- to ultralow-field (ZULF) nuclear magnetic resonance (NMR) is an emerging tool for precision chemical analysis. In this work, we study dynamic processes and investigate the influence of chemical exchange on ZULF NMR J-spectra. We develop a computational approach that allows quantitative calculation of J-spectra in the presence of chemical exchange and apply it to study aqueous solutions of [N-15]ammonium ((NH4+)-N-15) as a model system. We show that pH-dependent chemical exchange substantially affects ...

Citation Formats

A. Abutaha et al., “Correlating charge and thermoelectric transport to paracrystallinity in conducting polymers.,” Nature communications, pp. 1737–1737, 2020, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/41458.