Show simple item record

dc.contributor.authorCarro, Pilar
dc.contributor.authorAzofra Mesa, Luis
dc.contributor.authorAlbrecht, Tim
dc.contributor.authorSalvarezza, Roberto C.
dc.contributor.authorPensa, Evangelina
dc.date.accessioned2021-05-02T08:56:11Z
dc.date.available2021-05-02T08:56:11Z
dc.date.issued2021-04-23
dc.identifier.citationCarro, P., Azofra, L. M., Albrecht, T., Salvarezza, R. C., & Pensa, E. (2021). Unraveling the Causes of the Instability of Aun(SR)x Nanoclusters on Au(111). Chemistry of Materials. doi:10.1021/acs.chemmater.1c00816
dc.identifier.issn0897-4756
dc.identifier.issn1520-5002
dc.identifier.doi10.1021/acs.chemmater.1c00816
dc.identifier.urihttp://hdl.handle.net/10754/669029
dc.description.abstractProperties of small metal nanoclusters rely on the exact arrangement of a few atoms. Minor structural changes can rapidly destabilize them, leading to disintegration. Here, we evaluate the energetic factors accounting for the stabilization and integrity of thiolate-capped gold nanoclusters (AuNCs). We found that the core-cohesive and shell-binding energies regulate the disintegration process on a solid substrate by investigating the different energetic contributions, as shown here in a combined experimental and theoretical study. As the AuNC size increases, the core-cohesive energy and shell stability (imposed by S-Au and hydrocarbon chain interactions) counterbalance the AuNC–substrate interaction and slow down the AuNC disintegration. Thus, the decomposition can not only be understood in terms of desorption and transfer of the capping molecules to the support substrate but conversely, as a whole where ligand and core interactions play a role. Taken together, our experimental and theoretical results serve as guidelines for enhancing the stability of AuNCs on solid-state devices, a key point for reliable nanotechnological applications such as heterogeneous catalysis and sensing.
dc.description.sponsorshipE.P. and T.A. would like to thank the Leverhulme Trust (RPG2014-225). R.C.S. acknowledges the financial support from ANPCyT (PICT 2016-0679). L.M.A. thanks the KAUST Supercomputing Laboratory using the supercomputer Shaheen II for providing the computational resources.
dc.publisherAmerican Chemical Society (ACS)
dc.relation.urlhttps://pubs.acs.org/doi/10.1021/acs.chemmater.1c00816
dc.rightsThis document is the Accepted Manuscript version of a Published Work that appeared in final form in Chemistry of Materials, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see https://pubs.acs.org/doi/10.1021/acs.chemmater.1c00816.
dc.titleUnraveling the Causes of the Instability of Aun(SR)x Nanoclusters on Au(111)
dc.typeArticle
dc.identifier.journalChemistry of Materials
dc.rights.embargodate2022-04-23
dc.eprint.versionPost-print
dc.contributor.institutionÁrea de Química Física, Departamento de Química Facultad de Ciencias Instituto de Materiales y Nanotecnología Avda, Universidad de La Laguna, Francisco Sánchez, s/n, La Laguna, Tenerife 38200, Spain
dc.contributor.institutionInstituto de Estudios Ambientales y Recursos Naturales (i-UNAT), Universidad de Las Palmas de Gran Canaria (ULPGC), Campus de Tafira, Las Palmas de Gran Canaria 35017, Spain
dc.contributor.institutionDepartment of Chemistry, Imperial College London Exhibition, Road, London SW7 2AZ, U.K.
dc.contributor.institutionInstituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas (INIFTA), Facultad de Ciencias Exactas Universidad Nacional de La Plata, CONICET, La Plata 1900, Argentina
kaust.acknowledged.supportUnitKAUST Supercomputing Laboratory
kaust.acknowledged.supportUnitsupercomputer Shaheen II


This item appears in the following Collection(s)

Show simple item record