Aluminum incorporation to dreierketten silicate chains

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dc.contributor.authorManzano, H.
dc.contributor.authorDolado, J. S.
dc.contributor.authorAyuela, A.
dc.contributor.institutionTecnalia Research & Innovation
dc.date.accessioned2024-07-24T12:10:01Z
dc.date.available2024-07-24T12:10:01Z
dc.date.issued2009-03-05
dc.description.abstractThis work explores, from a theoretical viewpoint, the aluminum incorporation into silicate chains with dreierketten conformation relevant in the cementitious calcium-silicate-hydrate (C-S-H) gel and in other minerals, such as wollastonite and hillebrandite. To this end, we have investigated by means of ab initio calculations both the stability and the formation of aluminosilicate chains. Our results show that only certain aluminosilicate chains are stable, namely, those whose tetrahedra length m obey the m ) 3n - 1 rule with n ) 1, 2, 3,..., in agreement with experiments. Moreover, our detailed analyses explain why Al ions prefer the bridging sites and introduce new insights on the growth process.en
dc.description.statusPeer reviewed
dc.format.extent8
dc.identifier.citationManzano , H , Dolado , J S & Ayuela , A 2009 , ' Aluminum incorporation to dreierketten silicate chains ' , Journal of Physical Chemistry B , vol. 113 , no. 9 , pp. 2832-2839 . https://doi.org/10.1021/jp804867u
dc.identifier.doi10.1021/jp804867u
dc.identifier.issn1520-6106
dc.identifier.urihttps://hdl.handle.net/11556/4035
dc.identifier.urlhttp://www.scopus.com/inward/record.url?scp=64549103719&partnerID=8YFLogxK
dc.language.isoeng
dc.relation.ispartofJournal of Physical Chemistry B
dc.rightsinfo:eu-repo/semantics/restrictedAccess
dc.subject.keywordsPhysical and Theoretical Chemistry
dc.subject.keywordsSurfaces, Coatings and Films
dc.subject.keywordsMaterials Chemistry
dc.titleAluminum incorporation to dreierketten silicate chainsen
dc.typejournal article
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