Complete description of ionization energy and electron affinity in organic solids: Determining contributions from electronic polarization, energy band dispersion, and molecular orientation
Ionization energy and electron affinity in organic solids are understood in terms of a single molecule perturbed by solid-state effects such as polarization energy, band dispersion, and molecular orientation as primary factors. However, no work has been done to determine the individual contributions...
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Veröffentlicht in: | Physical review. B, Condensed matter and materials physics Condensed matter and materials physics, 2015-08, Vol.92 (7), Article 075145 |
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creator | Yoshida, Hiroyuki Yamada, Kazuto Tsutsumi, Jun'ya Sato, Naoki |
description | Ionization energy and electron affinity in organic solids are understood in terms of a single molecule perturbed by solid-state effects such as polarization energy, band dispersion, and molecular orientation as primary factors. However, no work has been done to determine the individual contributions experimentally. In this work, the electron affinities of thin films of pentacene and perfluoropentacene with different molecular orientations are determined to a precision of 0.1 eV using low-energy inverse photoemission spectroscopy. Based on the precisely determined electron affinities in the solid state together with the corresponding data of the ionization energies and other energy parameters, we quantitatively evaluate the contribution of these effects. It turns out that the bandwidth as well as the polarization energy contributes to the ionization energy and electron affinity in the solid state while the effect of the surface dipole is at most a few eV and does not vary with the molecular orientation. As a result, we conclude that the molecular orientation dependence of the ionization energy and electron affinity of organic solids originates from the orientation-dependent polarization energy in the film. |
doi_str_mv | 10.1103/PhysRevB.92.075145 |
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However, no work has been done to determine the individual contributions experimentally. In this work, the electron affinities of thin films of pentacene and perfluoropentacene with different molecular orientations are determined to a precision of 0.1 eV using low-energy inverse photoemission spectroscopy. Based on the precisely determined electron affinities in the solid state together with the corresponding data of the ionization energies and other energy parameters, we quantitatively evaluate the contribution of these effects. It turns out that the bandwidth as well as the polarization energy contributes to the ionization energy and electron affinity in the solid state while the effect of the surface dipole is at most a few eV and does not vary with the molecular orientation. As a result, we conclude that the molecular orientation dependence of the ionization energy and electron affinity of organic solids originates from the orientation-dependent polarization energy in the film.</description><identifier>ISSN: 1098-0121</identifier><identifier>EISSN: 1550-235X</identifier><identifier>DOI: 10.1103/PhysRevB.92.075145</identifier><language>eng</language><subject>Condensed matter ; Dispersions ; Electron affinity ; Ionization ; Organic solids ; Orientation ; Polarization ; Solid state</subject><ispartof>Physical review. 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It turns out that the bandwidth as well as the polarization energy contributes to the ionization energy and electron affinity in the solid state while the effect of the surface dipole is at most a few eV and does not vary with the molecular orientation. As a result, we conclude that the molecular orientation dependence of the ionization energy and electron affinity of organic solids originates from the orientation-dependent polarization energy in the film.</description><subject>Condensed matter</subject><subject>Dispersions</subject><subject>Electron affinity</subject><subject>Ionization</subject><subject>Organic solids</subject><subject>Orientation</subject><subject>Polarization</subject><subject>Solid state</subject><issn>1098-0121</issn><issn>1550-235X</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2015</creationdate><recordtype>article</recordtype><recordid>eNo9kc1OwzAQhCMEEqXwApx85ECK7dhJww3Kr1QJhHrgFjn2uhgldrATpPJsPBzuH6f1rr-ZOUySnBM8IQRnV68fq_AG37eTkk5wwQnjB8mIcI5TmvH3w_jG5TTFhJLj5CSET4wJKxkdJb8z13YN9IAUBOlN1xtnkdMoDvMjNhtY8MsVElYhaED2Pt6E1saafoVMpP1SWCNRcI1R4RrdRTvfxm-7RNLZ3pt6WBsFpL1r_z2ionON8LuYy31OvQ5SJnTgw-a-3lsXVUOkY5oB228kp8mRFk2As90cJ4uH-8XsKZ2_PD7PbuapzErcp1qKXHHFCs4KpZUuOSU5g7pkShFOKGipaQ6FEJKxmpIpy5koqSoKxSOSjZOLrW3n3dcAoa9aEyQ0jbDghlCRosAZoZiTiNItKr0LwYOuOm9a4VcVwdW6qWrfVFXSattU9gdnFZAw</recordid><startdate>20150831</startdate><enddate>20150831</enddate><creator>Yoshida, Hiroyuki</creator><creator>Yamada, Kazuto</creator><creator>Tsutsumi, Jun'ya</creator><creator>Sato, Naoki</creator><scope>AAYXX</scope><scope>CITATION</scope><scope>7SR</scope><scope>7U5</scope><scope>8BQ</scope><scope>8FD</scope><scope>H8D</scope><scope>JG9</scope><scope>L7M</scope></search><sort><creationdate>20150831</creationdate><title>Complete description of ionization energy and electron affinity in organic solids: Determining contributions from electronic polarization, energy band dispersion, and molecular orientation</title><author>Yoshida, Hiroyuki ; Yamada, Kazuto ; Tsutsumi, Jun'ya ; Sato, Naoki</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c390t-fca6d5d47547dfdf952164eb94dd1512efcf26e7aac44b218464a92d77d54dd3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2015</creationdate><topic>Condensed matter</topic><topic>Dispersions</topic><topic>Electron affinity</topic><topic>Ionization</topic><topic>Organic solids</topic><topic>Orientation</topic><topic>Polarization</topic><topic>Solid state</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Yoshida, Hiroyuki</creatorcontrib><creatorcontrib>Yamada, Kazuto</creatorcontrib><creatorcontrib>Tsutsumi, Jun'ya</creatorcontrib><creatorcontrib>Sato, Naoki</creatorcontrib><collection>CrossRef</collection><collection>Engineered Materials Abstracts</collection><collection>Solid State and Superconductivity Abstracts</collection><collection>METADEX</collection><collection>Technology Research Database</collection><collection>Aerospace Database</collection><collection>Materials Research Database</collection><collection>Advanced Technologies Database with Aerospace</collection><jtitle>Physical review. 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However, no work has been done to determine the individual contributions experimentally. In this work, the electron affinities of thin films of pentacene and perfluoropentacene with different molecular orientations are determined to a precision of 0.1 eV using low-energy inverse photoemission spectroscopy. Based on the precisely determined electron affinities in the solid state together with the corresponding data of the ionization energies and other energy parameters, we quantitatively evaluate the contribution of these effects. It turns out that the bandwidth as well as the polarization energy contributes to the ionization energy and electron affinity in the solid state while the effect of the surface dipole is at most a few eV and does not vary with the molecular orientation. 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subjects | Condensed matter Dispersions Electron affinity Ionization Organic solids Orientation Polarization Solid state |
title | Complete description of ionization energy and electron affinity in organic solids: Determining contributions from electronic polarization, energy band dispersion, and molecular orientation |
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