Please use this identifier to cite or link to this item: https://doi.org/10.1021/jp105368j
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dc.titleStrain-enhanced stabilization and catalytic activity of metal nanoclusters on graphene
dc.contributor.authorZhou, M.
dc.contributor.authorZhang, A.
dc.contributor.authorDai, Z.
dc.contributor.authorFeng, Y.P.
dc.contributor.authorZhang, C.
dc.date.accessioned2014-10-16T09:42:13Z
dc.date.available2014-10-16T09:42:13Z
dc.date.issued2010-10-07
dc.identifier.citationZhou, M., Zhang, A., Dai, Z., Feng, Y.P., Zhang, C. (2010-10-07). Strain-enhanced stabilization and catalytic activity of metal nanoclusters on graphene. Journal of Physical Chemistry C 114 (39) : 16541-16546. ScholarBank@NUS Repository. https://doi.org/10.1021/jp105368j
dc.identifier.issn19327447
dc.identifier.urihttp://scholarbank.nus.edu.sg/handle/10635/98033
dc.description.abstractWe report a first-principles investigation aiming at controlling the stabilization and catalytic activity of metal nanoclusters supported on graphene via tuning the mechanical strain in graphene. We show that a relatively modest tensile strain (10%) applied in graphene greatly increases the adsorption energies of various kinds of metal clusters under study by at least 100%, suggesting the greatly strain-enhanced stabilization of these metal clusters on graphene, which is highly desired for graphene-based catalysis. Using Au 16 and Au8 clusters on graphene as model catalysts for CO oxidation, we found that a small strain of 5% in graphene reverses the charge transfer between Au clusters and graphene, and reduces the reaction barrier of the catalyzed CO oxidation from around 3.0 eV (without strain) to less than 0.2 eV. These findings provide new opportunities for future development of graphene-based nanocatalysis. © 2010 American Chemical Society.
dc.description.urihttp://libproxy1.nus.edu.sg/login?url=http://dx.doi.org/10.1021/jp105368j
dc.sourceScopus
dc.typeArticle
dc.contributor.departmentPHYSICS
dc.description.doi10.1021/jp105368j
dc.description.sourcetitleJournal of Physical Chemistry C
dc.description.volume114
dc.description.issue39
dc.description.page16541-16546
dc.identifier.isiut000282209800061
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