Calculation Of The Damping Constant (FWHM), The Relaxation Time, And The Activation Energy As A Function Of Temperature For DmaCd(N3)3

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dc.authorid0000-0003-3196-100Xen_US
dc.authorscopusid57225731935en_US
dc.authorwosidIZP-6506-2023en_US
dc.contributor.authorKurt, Arzu
dc.date.accessioned2025-02-10T07:48:06Z
dc.date.available2025-02-10T07:48:06Z
dc.date.issued2021en_US
dc.departmentFakülteler, Çanakkale Uygulamalı Bilimler Fakültesi, Enerji Yönetimi Bölümüen_US
dc.description.abstractThe Raman frequencies of τ(CH3), υs(CNC), υ1(N3) and δ(CH3) modes, the IR frequencies of δ(NH2) and ρ(NH2) modes, and the corresponding FWHM values for these modes in DMACd(N3)3 were analyzed by using the experimental data from the literature for both ferroelastic and paraelastic phases. In these analyses, the Raman and the IR frequencies of these modes were associated with the order parameter calculated from the molecular field theory with regard to the structural phase transition (Tc=174 K) in DMACd(N3)3, the frequencies and the damping constants of τ(CH3), υs(CNC), υ1(N3), δ(CH3), δ(NH2), and ρ(NH2) modes as a function of temperature through the model of pseudospin (dynamic disorder of DMA+ cations and partially N3 anion), phonon coupling (PS) model, and the energy fluctuation (EF) model by analyzing the experimental data for the frequencies and FWHM of these modes in hybrid organic-inorganic perovskite. Moreover, the relaxation time and the activation energy were calculated for all these modes at various temperatures by using the damping constants (FWHM) for the PS and EF models studied in DMACd(N3)3. The results of the present research showed that the calculated Raman and IR frequencies with the damping constants of τ(CH3), υs(CNC), υ1(N3), δ(CH3), δ(NH2), and ρ(NH2) modes adequately accounted for the experimental data in DMACd(N3)3. The calculated activation energies for these modes were found to be acceptable compared to the values available in the literature and the kBTc values at the critical temperature. This method for calculating the frequencies (IR and Raman) and FWHM of these modes that were associated with the phase transitions could also be applied to some other hybrid organic-inorganic perovskites.en_US
dc.identifier.citationKurt, A. (2021). Calculation Of The Damping Constant (FWHM), The Relaxation Time, And The Activation Energy As A Function Of Temperature For DmaCd(N3)3. Journal of Molecular Structure, 1244. https://doi.org/10.1016/j.molstruc.2021.130901en_US
dc.identifier.doi10.1016/j.molstruc.2021.130901en_US
dc.identifier.issn0022-2860 / 1872-8014
dc.identifier.scopus2-s2.0-85108644798en_US
dc.identifier.scopusqualityQ1
dc.identifier.urihttps://doi.org/10.1016/j.molstruc.2021.130901
dc.identifier.urihttps://hdl.handle.net/20.500.12428/29600
dc.identifier.volume1244en_US
dc.identifier.wosWOS:000702511400021en_US
dc.identifier.wosqualityQ3
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.institutionauthorKurt, Arzu
dc.institutionauthorid0000-0003-3196-100X
dc.language.isoengen_US
dc.publisherElsevier B.V.en_US
dc.relation.ispartofJournal of Molecular Structureen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectRaman frequencyen_US
dc.subjectIR frequencyen_US
dc.subjectFWHMen_US
dc.subjectPhase transitionsen_US
dc.subjectDMACd(N3)3en_US
dc.subjectActivation energyen_US
dc.titleCalculation Of The Damping Constant (FWHM), The Relaxation Time, And The Activation Energy As A Function Of Temperature For DmaCd(N3)3en_US
dc.typearticleen_US

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