@article{blonski_pt3_2012,
	title = {Pt3 and {Pt4} clusters on graphene monolayers supported on a {Ni}(111) substrate: {Relativistic} density-functional calculations},
	volume = {137},
	issn = {0021-9606, 1089-7690},
	shorttitle = {Pt3 and {Pt4} clusters on graphene monolayers supported on a {Ni}(111) substrate},
	url = {http://scitation.aip.org/content/aip/journal/jcp/137/4/10.1063/1.4737885},
	doi = {10.1063/1.4737885},
	abstract = {Density-functional theory including spin-orbit coupling and corrections for dispersion forces has been used to investigate the structural and magnetic properties of Pt3 and Pt4clusters deposited on a graphene layer supported on a Ni(111) substrate. It is shown that the strong interaction of the Pt atoms with the Ni-supported graphene stabilizes a flat triangular and a slightly bent rhombic structure of the clusters. Pt atoms are located nearly on top of the C atoms of the graphene layer, slightly shifted towards the bridge positions because the Pt–Pt distances are larger than the C–C distances of the graphene sheet lattice-matched to the Ni support. The strong interaction with the substrate leads to a substantial reduction of both the spin and orbital moments of the Pt atoms, not only compared to the clusters in the gas-phase, but also compared to those adsorbed on a freestanding graphene layer. The trends in the magnetic moments and in the magnetic anisotropy of the cluster/substrate complex have been analyzed and it is demonstrated that the anisotropy is dominated by the Ni support.},
	number = {4},
	urldate = {2013-12-11},
	journal = {The Journal of Chemical Physics},
	author = {Błoński, Piotr and Hafner, Jürgen},
	month = jul,
	year = {2012},
	keywords = {Blonski, Cluster geometric structure, Coupled cluster, Self organized systems, Spin orbit interactions, adsorption, density functional theory, graphene, magnetic anisotropy, magnetic moments, nickel},
	pages = {044710},
}

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It is shown that the strong interaction of the Pt atoms with the Ni-supported graphene stabilizes a flat triangular and a slightly bent rhombic structure of the clusters. Pt atoms are located nearly on top of the C atoms of the graphene layer, slightly shifted towards the bridge positions because the Pt–Pt distances are larger than the C–C distances of the graphene sheet lattice-matched to the Ni support. The strong interaction with the substrate leads to a substantial reduction of both the spin and orbital moments of the Pt atoms, not only compared to the clusters in the gas-phase, but also compared to those adsorbed on a freestanding graphene layer. The trends in the magnetic moments and in the magnetic anisotropy of the cluster/substrate complex have been analyzed and it is demonstrated that the anisotropy is dominated by the Ni support.","number":"4","urldate":"2013-12-11","journal":"The Journal of Chemical Physics","author":[{"propositions":[],"lastnames":["Błoński"],"firstnames":["Piotr"],"suffixes":[]},{"propositions":[],"lastnames":["Hafner"],"firstnames":["Jürgen"],"suffixes":[]}],"month":"July","year":"2012","keywords":"Blonski, Cluster geometric structure, Coupled cluster, Self organized systems, Spin orbit interactions, adsorption, density functional theory, graphene, magnetic anisotropy, magnetic moments, nickel","pages":"044710","bibtex":"@article{blonski_pt3_2012,\n\ttitle = {Pt3 and {Pt4} clusters on graphene monolayers supported on a {Ni}(111) substrate: {Relativistic} density-functional calculations},\n\tvolume = {137},\n\tissn = {0021-9606, 1089-7690},\n\tshorttitle = {Pt3 and {Pt4} clusters on graphene monolayers supported on a {Ni}(111) substrate},\n\turl = {http://scitation.aip.org/content/aip/journal/jcp/137/4/10.1063/1.4737885},\n\tdoi = {10.1063/1.4737885},\n\tabstract = {Density-functional theory including spin-orbit coupling and corrections for dispersion forces has been used to investigate the structural and magnetic properties of Pt3 and Pt4clusters deposited on a graphene layer supported on a Ni(111) substrate. It is shown that the strong interaction of the Pt atoms with the Ni-supported graphene stabilizes a flat triangular and a slightly bent rhombic structure of the clusters. Pt atoms are located nearly on top of the C atoms of the graphene layer, slightly shifted towards the bridge positions because the Pt–Pt distances are larger than the C–C distances of the graphene sheet lattice-matched to the Ni support. The strong interaction with the substrate leads to a substantial reduction of both the spin and orbital moments of the Pt atoms, not only compared to the clusters in the gas-phase, but also compared to those adsorbed on a freestanding graphene layer. The trends in the magnetic moments and in the magnetic anisotropy of the cluster/substrate complex have been analyzed and it is demonstrated that the anisotropy is dominated by the Ni support.},\n\tnumber = {4},\n\turldate = {2013-12-11},\n\tjournal = {The Journal of Chemical Physics},\n\tauthor = {Błoński, Piotr and Hafner, Jürgen},\n\tmonth = jul,\n\tyear = {2012},\n\tkeywords = {Blonski, Cluster geometric structure, Coupled cluster, Self organized systems, Spin orbit interactions, adsorption, density functional theory, graphene, magnetic anisotropy, magnetic moments, nickel},\n\tpages = {044710},\n}\n\n\n\n","author_short":["Błoński, P.","Hafner, J."],"key":"blonski_pt3_2012","id":"blonski_pt3_2012","bibbaseid":"boski-hafner-pt3andpt4clustersongraphenemonolayerssupportedonani111substraterelativisticdensityfunctionalcalculations-2012","role":"author","urls":{"Paper":"http://scitation.aip.org/content/aip/journal/jcp/137/4/10.1063/1.4737885"},"keyword":["Blonski","Cluster geometric structure","Coupled cluster","Self organized systems","Spin orbit interactions","adsorption","density functional theory","graphene","magnetic anisotropy","magnetic moments","nickel"],"metadata":{"authorlinks":{}},"html":""},"bibtype":"article","biburl":"https://bibbase.org/zotero/robertorobles","dataSources":["8vvu6PNxwEyxJxvhj"],"keywords":["blonski","cluster geometric structure","coupled cluster","self organized systems","spin orbit interactions","adsorption","density functional theory","graphene","magnetic anisotropy","magnetic moments","nickel"],"search_terms":["pt3","pt4","clusters","graphene","monolayers","supported","111","substrate","relativistic","density","functional","calculations","błoński","hafner"],"title":"Pt3 and Pt4 clusters on graphene monolayers supported on a Ni(111) substrate: Relativistic density-functional calculations","year":2012}