Energy and temperature dependence of rigid unit modes in AlPO4-5

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dc.contributor.authorBerlie, Aen_AU
dc.contributor.authorKearley, GJen_AU
dc.contributor.authorLiu, Yen_AU
dc.contributor.authorYu, DHen_AU
dc.contributor.authorMole, RAen_AU
dc.contributor.authorLing, CDen_AU
dc.contributor.authorWithers, RLen_AU
dc.date.accessioned2017-05-09T23:54:34Zen_AU
dc.date.available2017-05-09T23:54:34Zen_AU
dc.date.issued2015-07-17en_AU
dc.date.statistics2017-05-10en_AU
dc.description.abstractFor structures that can be treated as networks of rigid, corner-connected polyhedra, the dominant distortion modes can be described by so-called rigid unit modes that are close to zero frequency. This type of behaviour is common in zeolitic/zeotypic materials such as the AlPO4 family of compounds and has been suggested by some authors to play a significant role in molecular diffusion within the pores of such compounds. We explore the energy and temperature dependence of these modes in AlPO4-5 using inelastic neutron scattering and heat capacity measurements. Ab initio based computational modelling is also used to assign the observed dynamic behaviour to rigid unit modes. We observe that these rigid unit modes persist down to very low temperatures and show no signs of freezing out.© 2015, the Owner Societies.en_AU
dc.identifier.citationBerlie, A., Kearley, G. J., Liu, Y., Yu, De., Mole, R. A., Ling, C. D., & Withers, R. L. (2015). Energy and temperature dependence of rigid unit modes in AlPO4-5. Physical Chemistry Chemical Physics, 17(33), 21547-21554. doi:10.1039/C5CP01723Hen_AU
dc.identifier.govdoc8181en_AU
dc.identifier.issn1463-9084en_AU
dc.identifier.issue33en_AU
dc.identifier.journaltitlePhysical Chemistry Chemical Physicsen_AU
dc.identifier.pagination21547-21554en_AU
dc.identifier.urihttp://dx.doi.org/10.1039/C5CP01723Hen_AU
dc.identifier.urihttp://apo.ansto.gov.au/dspace/handle/10238/8685en_AU
dc.identifier.volume17en_AU
dc.language.isoenen_AU
dc.publisherRoyal Society of Chemsitryen_AU
dc.subjectZeolitesen_AU
dc.subjectOrganic compoundsen_AU
dc.subjectMoleculesen_AU
dc.subjectMelting pointsen_AU
dc.subjectTemperature rangeen_AU
dc.subjectSpecific heaten_AU
dc.titleEnergy and temperature dependence of rigid unit modes in AlPO4-5en_AU
dc.typeJournal Articleen_AU
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