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Structural and electrochemical properties of polyaniline and its composites synthesized in the presence of non-stoichiometric cerium(IV)-oxide CeO2-b - experimental and theoretical approach

dc.contributor.advisorŠljukić-Paunković, Biljana
dc.contributor.otherIvanović, Nenad
dc.contributor.otherStojković Simatović, Ivana
dc.contributor.otherVujković, Milica
dc.creatorKuzmanović, Bojana
dc.date.accessioned2021-06-11T09:34:39Z
dc.date.available2021-06-11T09:34:39Z
dc.date.issued2021-02-09
dc.identifier.urihttp://eteze.bg.ac.rs/application/showtheses?thesesId=8178
dc.identifier.urihttps://fedorabg.bg.ac.rs/fedora/get/o:23842/bdef:Content/download
dc.identifier.urihttp://vbs.rs/scripts/cobiss?command=DISPLAY&base=70036&RID=39968009
dc.identifier.urihttps://nardus.mpn.gov.rs/handle/123456789/18358
dc.description.abstractUprkos opsežnim istraživanjima i primenama polianilina (PANI), uticaj kiseonika i -OH grupe na njegova svojstva nije u potpunosti razjašnjen. Zbog toga su u ovoj tezi urađeni detaljni kvantni proračuni interakcija PANI_PNB (pernigranilin baza) i PANI_EB (emeraldin baza) tertramera sa O2, H2O i -OH grupom i promena nastalih usled vezivanja O atoma i -OH grupe na različite položaje na njima. Ustanovljeno je da perturbacije indukovane vezivanjima jako zavise od forme PANI, od atoma ili grupe koja se veže i od položaja vezivanja na molekulu, što nudi raznovrsne mogućnosti modifikacije svojstava PANI materijala i razumevanje njihovih promena u realnim uslovima eksploatacije. Posebno je interesantna mogućnost uspostavljanja provodnog režima i jake apsorpcije u vidljivom delu spektra uočena u ovako modifikovanom PANI_PNB. Ova saznanja su iskorišćena tokom eksperimentalnih ispitivanja sinteze, svojstava i mogućnosti primene kompozita sačinjenih od PANI_ES (emeraldin so) i nanoprahova CeO2-δ sa različitom koncentracijom O-vakancija, dobijenih sintezom u čvrstom stanju ili hidrotermalnom sintezom. Struktura, termodinamička i elektrohemijska svojstva kompozita PANI_ES@CeO2-δ su ispitana FTIR i ramanskom spektroskopijom, skenirajućom elektronskom mikroskopijom, TG/DTA analizom i metodom CV. Utvrđeno je da PANI_ES-CeO2-δ interakcije slabe veze između lanaca polimera, smanjuju provodljivost kompozita, ali, zavisno od svojstava ugrađenog oksida, olakšavaju privlačenje jona iz elektrolita i pospešuju skladištenje naelektrisanja u kompozitu. Dobijeni rezultati pokazuju da su ispitivani kompoziti novi materijali, sa izuzetno velikim kapacitetom za skladištenje naelektrisanja, stabilni u kiselom rastvoru, što ih čini veoma perspektivnim za izradu elektroda za superkondenzatore.sr
dc.description.abstractIn spite of intensive investigation and applications of polyaniline (PANI) influence of oxygen and -OH group on its properties is not well understood. For this reason detailed quantum-mechanic calculations of pernigraniline base PANI_PNB, and emeraldine base PANI_EB tetramers interactions with O2, H2O, and -OH group, and of consequences of O and -OH attachment on various molecular positions were performed. It was established that attachment induced perturbations strongly depend on PANI form, the attached specie, and the attachment position, offering versatile possibilities for PANI modification, and for monitoring its behavior under realistic exploitation conditions. The established possibility to produce the conducting regime and strong absorption in the visible range of spectrum in PANI_PNB modified that way is particularly interesting. These findings were used during experimental investigation of synthesis, properties and application possibilities of emeraldine salt PANI_ES-CeO2-δ composites. CeO2-δ powders were produced by self-propagated solid state synthesis, or hydrothermal synthesis and contain different concentrations of O-vacancies. Structure, thermodynamical and electrochemical properties of PANI_ES@CeO2-δ composites were investigated by SEM, FTIR, Raman, TG/DTA and CV measurements. It was found that PANI_ES-CeO2-δ interactions, in dependence on CeO2-δ properties, weaken the polymer interchain bonds, decrease the composites mobility, but elevate ions attraction from electrolyte and improve the composites charge storage ability. The obtained results suggest that the investigated composites are novel materials with very high charge storage capacity, stable in acid solution, which makes them highly perspective as supercapacitors electrode materials.en
dc.languagesr
dc.publisherУниверзитет у Београду, Факултет за физичку хемијуsr
dc.relationinfo:eu-repo/grantAgreement/MESTD/Integrated and Interdisciplinary Research (IIR or III)/45003/RS//
dc.rightsopenAccessen
dc.rights.urihttps://creativecommons.org/licenses/by-nc-nd/4.0/
dc.sourceУниверзитет у Београдуsr
dc.subjectPANI_PNBsr
dc.subjectPANI_PNBen
dc.subjectPANI_EBen
dc.subjectoxygenen
dc.subject-OH groupen
dc.subjectcalculationsen
dc.subjectnon-stoichiometric cerium(IV)-oxide CeO2-δen
dc.subjectsolid-state synthesis of CeO2-δen
dc.subjecthydrothermal synthesis of CeO2-δen
dc.subjectPANI-CeO2-δ interactionen
dc.subjectsupercapacitorsen
dc.subjectPANI_EBsr
dc.subjectkiseoniksr
dc.subject-OH grupasr
dc.subjectproračunisr
dc.subjectnestehiometrijski cerijum (IV)-oksid CeO2-δsr
dc.subjectsinteza CeO2-δ u čvrstom stanjusr
dc.subjecthidrotermalna sinteza CeO2-δsr
dc.subjectPANI-CeO2-δ interakcijasr
dc.subjectsuperkondenzatorisr
dc.titleStruktura i elektrohemijska svojstva polianilina i njegovih kompozita sintetisanih u prisustvu nestehiometrijskog cerijum(IV)-oksida CeO2ß- eksperimentalni i teorijski pristupsr
dc.title.alternativeStructural and electrochemical properties of polyaniline and its composites synthesized in the presence of non-stoichiometric cerium(IV)-oxide CeO2-b - experimental and theoretical approachen
dc.typedoctoralThesisen
dc.rights.licenseBY-NC-ND
dc.identifier.fulltexthttp://nardus.mpn.gov.rs/bitstream/id/71783/IzvestajKomisije28823.pdf
dc.identifier.fulltexthttp://nardus.mpn.gov.rs/bitstream/id/71782/Doktorat_28823.pdf
dc.identifier.rcubhttps://hdl.handle.net/21.15107/rcub_nardus_18358


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