Survey of structural and electronic properties of C60 on close-packed metal surfaces

Shi, Xingqiang; Hove, M. A. Van; Zhang, Rui‐Qin

doi:10.1007/s10853-012-6361-y

Cited by 43 publications

(48 citation statements)

References 82 publications

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“…For an isolated C 60 , it is known that the electron charge density is higher on 6:6 CÀC bonds connecting hexagonal facets than on 6:5 CÀC bonds connecting pentagonal and hexagonal facets. 28 The C atoms involved in the bonding appear to be those involved in 6:6 bonds at DS sites and in 6:5 bonds at WF sites. This suggests that the bonding is more favorable between electron-poor Al substrate ARTICLE atoms and electron-rich 6:6 bonds at DS sites as well as between the electron-rich Mn atom and the electron-deficient 6:5 bonds at WF sites.…”

Section: Resultsmentioning

confidence: 99%

“…Indeed C 60 adsorption on normal crystalline surfaces allows symmetry matching only with either 2-fold or 3-fold symmetry axis, corresponding to adsorption geometries where the molecule lies either on a 6:6 CÀC bond or on a hexagonal face. 28 On QC substrates, one expects most of the C 60 to be adsorbed on a pentagonal C face, and this should influence the properties of the molecular film in a unique way. These results could be expanded by functionalizing the molecules to investigate the physical properties of model 2D quasiperiodic systems, for example to study magnetic frustration on a quasiperiodic lattice by using endohedral fullerenes with magnetic moments.…”

Section: Resultsmentioning

confidence: 99%

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Self-Organized Molecular Films with Long-Range Quasiperiodic Order

et al. 2014

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Self-organized molecular films with long-range quasiperiodic order have been grown by using the complex potential energy landscape of quasicrystalline surfaces as templates. The long-range order arises from a specific subset of quasilattice sites acting as preferred adsorption sites for the molecules, thus enforcing a quasiperiodic structure in the film. These adsorption sites exhibit a local 5-fold symmetry resulting from the cut by the surface plane through the cluster units identified in the bulk solid. Symmetry matching between the C60 fullerene and the substrate leads to a preferred adsorption configuration of the molecules with a pentagonal face down, a feature unique to quasicrystalline surfaces, enabling efficient chemical bonding at the molecule-substrate interface. This finding offers opportunities to investigate the physical properties of model 2D quasiperiodic systems, as the molecules can be functionalized to yield architectures with tailor-made properties. KeywordsC60, self-assembly, quasiperiodic order, scanning tunneling microscopy, density functional theory, 5-fold symmetry Disciplines Materials Chemistry | Materials Science and Engineering CommentsReprinted with permission from ACS Nano 8 (2014) Q uasicrystals (QCs) were discovered in intermetallic compounds by D. Shechtman, Nobel Prize in Chemistry 2011. 1 They possess long-range order but no translational invariance. They are a special class of complex intermetallics, in the sense that their unit cell is of infinite dimension. QCs have a fascinating beauty associated with forbidden symmetries, like five-, 10-, or 12-fold rotational symmetries not found in periodic systems. Today, the field is very active, and QCs are being discovered in a broad range of systems. Hundreds of intermetallic compounds with quasiperiodic structures have been identified in phase diagrams. 2 But QCs are no longer restricted to intermetallics. Soft QCs are an emerging field in colloidal and supramolecular chemistry. 3,4 Perovskite oxide thin films with quasiperiodic structures have recently been identified, 5 and even water thin films have been predicted to adopt quasiperiodic structures under specific conditions. 6 In this article, we show that molecular films with long-range quasiperiodic order can also be grown by using clean QC surfaces as templates, thus extending the concept of QCs to an even wider materials field.Thorough investigations of QC surfaces in an ultra-high-vacuum environment have led to the conclusion that they are bulk terminated at specific planes. 7,8 For Al-based QCs, the selected terminations are dense Al-rich planes of the bulk structure separated by the largest interplanar distances corresponding to the lowest surface energy terminations. Low-energy electron diffraction (LEED) and scanning tunneling microscopy (STM) images reveal both the long-range quasiperiodic order and local atomic configurations corresponding to cluster building blocks used to described the bulk structure that are truncated by the surface plane. 9À12 Such termin...

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Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

Self-Organized Molecular Films with Long-Range Quasiperiodic Order

et al. 2014

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“…In this way, we have identified the two lowest energy configurations which will be referred to as dimer30 and hex0. They correspond to (i) the molecule sitting on a 6 : 6 dimer bridging between two Pt-hexagons at 30°with respect to the [1][2][3][4][5][6][7][8][9][10] surface direction for dimer30, and to (ii) the fullerene oriented on a carbon hexagon on top of a Pt hexagon on the surface for hex0 (see figure 6). These two configurations have been recalculated with VASP and they provide the basis for the rest of our theoretical study.…”

Section: Theoretical Calculationsmentioning

confidence: 99%

“…C 60 usually forms large-unit-cell self-assembled monolayers when deposited on metal surfaces [3]. There is an extended bibliography on thin films of C 60 on many different single crystal metal substrates as Pt [4][5][6][7][8][9][10], Al [11,12], Cu [13][14][15][16][17][18], Au [19][20][21][22][23][24][25][26][27][28] and Ag [29][30][31][32][33][34] or even on graphene [35], among many others.…”

Section: Introductionmentioning

confidence: 99%

Vacancy formation on C60/Pt (111): unraveling the complex atomistic mechanism

et al. 2014

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Pinardi, A.L.; Biddau, G.; van de Ruit, K.; Otero-Irurueta, G.; Gardonio, S.; Lizzit, S.; Schennach, R.; Flipse, C.F.J.; Lopez, M.F.; Méndez, J.; Perez, R.; Martin-Gago, J.A. Published in: Nanotechnology DOI:10.1088/0957-4484/25/38/385602Published: 01/01/2014 Document VersionPublisher's PDF, also known as Version of Record (includes final page, issue and volume numbers) Please check the document version of this publication:• A submitted manuscript is the author's version of the article upon submission and before peer-review. There can be important differences between the submitted version and the official published version of record. People interested in the research are advised to contact the author for the final version of the publication, or visit the DOI to the publisher's website.• The final author version and the galley proof are versions of the publication after peer review.• The final published version features the final layout of the paper including the volume, issue and page numbers. Link to publication Citation for published version (APA):Pinardi, A. L., Biddau, G., Ruit, van de, K., Otero-Irurueta, G., Gardonio, S., Lizzit, S., ... Martin-Gago, J. A. (2014). Vacancy formation on C60/Pt (111): unraveling the complex atomistic mechanism. Nanotechnology, 25, 385602-1/13. DOI: 10.1088/0957-4484/25/38/385602 General rightsCopyright and moral rights for the publications made accessible in the public portal are retained by the authors and/or other copyright owners and it is a condition of accessing publications that users recognise and abide by the legal requirements associated with these rights.• Users may download and print one copy of any publication from the public portal for the purpose of private study or research.• You may not further distribute the material or use it for any profit-making activity or commercial gain • You may freely distribute the URL identifying the publication in the public portal ? Take down policyIf you believe that this document breaches copyright please contact us providing details, and we will remove access to the work immediately and investigate your claim. AbstractThe interaction of fullerenes with transition metal surfaces leads to the development of an atomic network of ordered vacancies on the metal. However, the structure and formation mechanism of this intricate surface reconstruction is not yet understood at an atomic level. We combine scanning tunneling microscopy, high resolution and temperature programmed-x-ray photoelectrons spectroscopy, and density functional theory calculations to show that the vacancy formation in C60/Pt(111) is a complex process in which fullerenes undergo two significant structural rearrangements upon thermal annealing. At first, the molecules are physisorbed on the surface; next, they chemisorb inducing the formation of an adatom-vacancy pair on the side of the fullerene. Finally, this metastable state relaxes when the adatom migrates away and the vacancy moves under the molecule. The evolution from a weakly-bound fullerene to a chemisorb...

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“…C 60 adsorption has been studied on several metal surfaces, 1 including Ag(111), 2 Al(111), 3 and Pt(111): 4,5 these metals were found to reconstruct into a one-metal-atom vacancy structure, in which one metal atom is missing under each C 60 molecule. A study of C 60 on Cu(111) performed by Pai et al 6 found that after deposition of C 60 and annealing to 500 K, the C 60 molecules sink into the Cu(111) surface by ∼2Å, which is close to the Cu(111) interlayer spacing.…”

Section: Introductionmentioning

confidence: 99%

Detailed low-energy electron diffraction analysis of the (4×4) surface structure of C60on Cu(111): Seven-atom-vacancy reconstruction

Shi

Zhang

et al. 2012

Phys. Rev. B

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A detailed and exhaustive structural analysis by low-energy electron diffraction (LEED) is reported for the C 60 -induced reconstruction of Cu(111), in the system Cu(111) + (4 × 4)-C 60 . A wide LEED energy range allows enhanced sensitivity to the crucial C 60 -metal interface that is buried below the 7-Å-thick molecular layer. The analysis clearly favors a seven-Cu-atom vacancy model (with Pendry R-factor R p = 0.376) over a one-Cu-atom vacancy model (R p = 0.608) and over nonreconstructed models (R p = 0.671 for atop site and R p = 0.536 for hcp site). The seven-Cu-atom vacancy forms a (4 × 4) lattice of bowl-like holes. In each hole, a C 60 molecule can nestle by forming strong bonds (shorter than 2.30Å) between 15 C atoms of the molecule and 12 Cu atoms of the outermost and second Cu layers.

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Survey of structural and electronic properties of C60 on close-packed metal surfaces

Cited by 43 publications

References 82 publications

Self-Organized Molecular Films with Long-Range Quasiperiodic Order

Self-Organized Molecular Films with Long-Range Quasiperiodic Order

Vacancy formation on C60/Pt (111): unraveling the complex atomistic mechanism

Detailed low-energy electron diffraction analysis of the (4×4) surface structure of C60on Cu(111): Seven-atom-vacancy reconstruction

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