Adsorption structure of adenine on cerium oxide

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dc.contributor.authorBercha, Sen_AU
dc.contributor.authorBhasker-Ranganath, Sen_AU
dc.contributor.authorZheng, Xen_AU
dc.contributor.authorBeranová, Ken_AU
dc.contributor.authorVorokhta, Men_AU
dc.contributor.authorAcres, RGen_AU
dc.contributor.authorSkála, Ten_AU
dc.contributor.authorMatolín, Ven_AU
dc.contributor.authorPrince, KCen_AU
dc.contributor.authorXu, Yen_AU
dc.contributor.authorTsud, Nen_AU
dc.date.accessioned2025-04-03T05:07:45Zen_AU
dc.date.available2025-04-03T05:07:45Zen_AU
dc.date.issued2020-11en_AU
dc.date.statistics2025-03-05en_AU
dc.description.abstractThe adsorption of adenine on the CeO2(1 1 1)/Cu(1 1 1) surface in vacuum was studied by photoelectron spectroscopy, resonant photoelectron spectroscopy and near-edge X-ray absorption fine structure spectroscopy, and the present work describes in detail the bonding of the molecule to the ordered stoichiometric cerium dioxide film. The experimental findings were supported by density functional theory (DFT + U) analysis of different adsorption geometries of adenine on CeO2(1 1 1). The phase with adenine lying flat on the surface dominates on CeO2(1 1 1) up to 0.1 monolayer (ML) of adenine coverage. The mobility of single molecules was apparently sufficiently high to allow diffusion and formation of chain structures, which were observed to be stable in the temperature range from 25 to 250 °C. Beyond 0.1 ML, adenine molecules adsorb predominantly in an upright orientation. This phase, stable up to 120 °C, is according to theory stabilised via N3/Ce4+ and N9H/O2–. It was further complemented by experimental findings demonstrating free N10H2 groups in adsorbed molecules. Thus, the saturation coverage of adenine on CeO2(1 1 1), 0.23 ML, is most likely characterised by a combination of parallel and upright bound molecules. © 2020 Elsevier B.V. All rights reserved.en_AU
dc.identifier.articlenumber147257en_AU
dc.identifier.citationBercha, S., Bhasker-Ranganath, S., Zheng, X., Beranová, K., Vorokhta, M., Acres, R. G., Skála, T., Matolín, V., Prince, K. C., Xu, Y., & Tsud, N. (2020). Adsorption structure of adenine on cerium oxide. Applied Surface Science, 530, 147257. doi:10.1016/j.apsusc.2020.147257en_AU
dc.identifier.issn0169-4332en_AU
dc.identifier.journaltitleApplied Surface Scienceen_AU
dc.identifier.urihttps://doi.org/10.1016/j.apsusc.2020.147257en_AU
dc.identifier.urihttps://apo.ansto.gov.au/handle/10238/16112en_AU
dc.identifier.volume530en_AU
dc.languageEnglishen_AU
dc.language.isoenen_AU
dc.publisherElsevieren_AU
dc.subjectAdsorptionen_AU
dc.subjectCeriumen_AU
dc.subjectOxidesen_AU
dc.subjectMoleculesen_AU
dc.subjectTemperature rangeen_AU
dc.subjectAdeninesen_AU
dc.subjectPhotoelectron spectroscopyen_AU
dc.titleAdsorption structure of adenine on cerium oxideen_AU
dc.typeJournal Articleen_AU
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