2020
DOI: 10.1103/physrevmaterials.4.085602
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Vibrational mode contribution to the dielectric permittivity of disordered small-molecule organic semiconductors

Abstract: DOI to the publisher's website.• The final author version and the galley proof are versions of the publication after peer review.• The final published version features the final layout of the paper including the volume, issue and page numbers. Link to publication General rightsCopyright and moral rights for the publications made accessible in the public portal are retained by the authors and/or other copyright owners and it is a condition of accessing publications that users recognise and abide by the legal re… Show more

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citations
Cited by 10 publications
(13 citation statements)
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References 97 publications
(117 reference statements)
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“…For the 6.5 mol% CBP:Ir(ppy) 2 (acac) systems studied, Förster transfer is the most important process [55]. The Förster radius is close to the value of 1.6 nm that follows from a recent quantum-chemical calculation study [40]. Triplet quenching with electron or hole polarons (TPQ) on other emitter molecules and triplettriplet annihilation (TTA) involving two triplets on an emitter molecule are also described as a Förster-type process, with for both interactions a Förster radius of 3.5 nm.…”
Section: D Kmc Device Simulations-methodssupporting
confidence: 70%
See 1 more Smart Citation
“…For the 6.5 mol% CBP:Ir(ppy) 2 (acac) systems studied, Förster transfer is the most important process [55]. The Förster radius is close to the value of 1.6 nm that follows from a recent quantum-chemical calculation study [40]. Triplet quenching with electron or hole polarons (TPQ) on other emitter molecules and triplettriplet annihilation (TTA) involving two triplets on an emitter molecule are also described as a Förster-type process, with for both interactions a Förster radius of 3.5 nm.…”
Section: D Kmc Device Simulations-methodssupporting
confidence: 70%
“…1(a)]. For gas-phase molecules significantly different theoretical static dipole moments have been reported by several groups, ranging from 2.0 D [11] and 5.5 D [40] to 6.4 and 7.6 D [41]. In the latter study two conformers, in which the three subgroups are symmetrically equivalent or not, were distinguished.…”
Section: Dipole-orientation Distribution In Tpbi a Overview Of Theoretical And Experimental Literature Datamentioning
confidence: 82%
“…For organic semiconductors, the direction (or plane) of largest extent of π-conjugation is typically found to have the highest α-component, whereas it is smallest perpendicular to that plane. Using, for example, the Clausius-Mossotti relation α can be related to a macroscopic film property, namely the optical refractive index n: [31] n Nα ε ≈ +1, 0…”
Section: Materials and Phenomenamentioning
confidence: 99%
“…In the typically applied Born-Oppenheimer approximation, the polarizability can be split into the electronic contribution, that governs the UV-vis region and nuclear relaxation for the IR or Raman part of the spectrum. [31,71] Both contributions can be calculated separately. Also, the polarizability is closely related to the structure of the molecule.…”
Section: Single Molecule Calculationsmentioning
confidence: 99%
“…[ 17,18 ] In this case, the lying or standing configuration can be achieved under different interaction strengths and have different transition dipole moments and dipole moments, which may affect the dielectric permittivity of the molecular crystal. [ 19,20 ]…”
Section: Introductionmentioning
confidence: 99%