Weakly Interacting Molecular Layer of Spinning C<sub>60</sub> Molecules on TiO<sub>2</sub> (110) Surfaces

Sánchez‐Sánchez, Carlos; Lanzilotto, Valeria; González, César; Verdini, Alberto; Andrés, Pedro; López, María Francisca; Martín‐Gago, José A.

doi:10.1002/chem.201200627

Cited by 26 publications

(32 citation statements)

References 40 publications

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“…18 The results obtained from the calculations are practically the same than those shown in Ref. 18 for the p(5×2) phase. This new calculation of the p(5×2) superstructure -within a essentially similar theoretical framework than in Ref.…”

Section: On the Basis Of The Aforementioned Purely Geometrical Rationsupporting

confidence: 75%

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Antiphase Boundaries Accumulation Forming a New C₆₀ Decoupled Crystallographic Phase on the Rutile TiO₂(110)-(1 × 1) Surface

et al. 2014

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C 60 on the rutile TiO 2 (110)-(1×1) surface is known to present a well-ordered p(5×2) surface phase. We have identified another crystallographic phase on this surface characterized by a large unit cell containing four C 60 molecules. This phase, which exhibits four inequivalent C 60 adsorption sites with just two different molecular orientations, is herein explained in terms of an accumulation of the so-called anti-phase boundaries. Among the a priori ten possible anti-phase boundary domains, only three of them can result in possible longrange structures attending to geometrical and energetic considerations. In order to fully characterize the structure and energetics of this new C 60 / TiO 2 (110)-(1×1) phase, an adequate combination of STM and accurate Density Functional Theory-based calculations, including an efficient self-consistent implementation of the vdW interaction, has been used. Results suggest that this new phase is the most stable among all the possible anti-phase boundary domains. On

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Section: On the Basis Of The Aforementioned Purely Geometrical Rationsupporting

confidence: 75%

“…As starting geometrical configuration for the calculation of the p(5×2) phase, we have taken that one previously reported by our group in Ref. 18 The results obtained from the calculations are practically the same than those shown in Ref. 18 for the p(5×2) phase.…”

Section: On the Basis Of The Aforementioned Purely Geometrical Rationmentioning

confidence: 96%

Antiphase Boundaries Accumulation Forming a New C₆₀ Decoupled Crystallographic Phase on the Rutile TiO₂(110)-(1 × 1) Surface

et al. 2014

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“…It is well established that C 60 molecules tend to perform rotations along some preferential directions when physisorbed on top of weakly interacting surfaces. [59][60][61][62][63][64][65] The strength of molecule-surface interactions and molecule-molecule forces determine the angular orientations of C 60 , which can vary as a function of temperature.…”

Section: Configurations and Rotations Of C 60 On Wsementioning

confidence: 99%

Rotational superstructure in van der Waals heterostructure of self-assembled C₆₀ monolayer on the WSe₂ surface

et al. 2017

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Hybrid van der Waals (vdW) heterostructures composed of two-dimensional (2D) layered materials and self-assembled organic molecules are promising systems for electronic and optoelectronic applications with enhanced properties and performance. Control of molecular assembly is therefore paramount to fundamentally understand the nucleation, ordering, alignment, and electronic interaction of organic molecules with 2D materials. Here, we report the formation and detailed study of highly ordered, crystalline monolayers of C molecules self-assembled on the surface of WSe in well-ordered arrays with large grain sizes (∼5 μm). Using high-resolution scanning tunneling microscopy (STM), we observe a periodic 2 × 2 superstructure in the C monolayer and identify four distinct molecular appearances. Using vdW-corrected ab initio density functional theory (DFT) simulations, we determine that the interplay between vdW and Coulomb interactions as well as adsorbate-adsorbate and adsorbate-substrate interactions results in specific rotational arrangements of the molecules forming the superstructure. The orbital ordering through the relative positions of bonds in adjacent molecules creates a charge redistribution that links the molecule units in a long-range network. This rotational superstructure extends throughout the self-assembled monolayer and opens a pathway towards engineering aligned hybrid organic/inorganic vdW heterostructures with 2D layered materials in a precise and controlled way.

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“…Sanchez-Sanchez et al investigated the electronic coupling between C60 molecules and the (110) surface of rutile titanium dioxide [65]. The molecules interact only weakly with the substrate by vdW binding, which is confirmed by XPS, NEXAFS spectroscopy and desorption from the surface at 600 K. Weak interaction with the substrate does not alter the electronic structure of the molecules.…”

Section: Other Large Non-planar Moleculesmentioning

confidence: 99%

“…Structural model of an ordered layer formed by C60 molecules on the TiO 2 (110)-(1 × 1) surface [65]. …”

Section: Figurementioning

confidence: 99%

Adsorption and Self-Assembly of Large Polycyclic Molecules on the Surfaces of TiO2 Single Crystals

Godlewski

Szymoński

2013

IJMS

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Titanium dioxide is one of the most frequently studied metal oxides, and its (110) rutile surface serves as a prototypical model for the surface science of such materials. Recent studies have also shown that the (011) surface is relatively easy for preparation in ultra-high vacuum (UHV) and that both the (110) and (011) surfaces could be precisely characterized using scanning tunneling microscopy (STM). The supramolecular self-assembly of organic molecules on the surfaces of titanium dioxide plays an important role in nanofabrication, and it can control the formation and properties of nanostructures, leading to wide range of applications covering the fields of catalysis, coatings and fabrication of sensors and extends to the optoelectronic industry and medical usage. Although the majority of experiments and theoretical calculations are focused on the adsorption of relatively small organic species, in recent years, there has been increasing interest in the properties of larger molecules that have several aromatic rings in which functional units could also be observed. The purpose of this review is to summarize the achievements in the study of single polycyclic molecules and thin layers adsorbed onto the surfaces of single crystalline titanium dioxide over the past decade.

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Weakly Interacting Molecular Layer of Spinning C₆₀ Molecules on TiO₂ (110) Surfaces

Cited by 26 publications

References 40 publications

Antiphase Boundaries Accumulation Forming a New C₆₀ Decoupled Crystallographic Phase on the Rutile TiO₂(110)-(1 × 1) Surface

Antiphase Boundaries Accumulation Forming a New C₆₀ Decoupled Crystallographic Phase on the Rutile TiO₂(110)-(1 × 1) Surface

Rotational superstructure in van der Waals heterostructure of self-assembled C₆₀ monolayer on the WSe₂ surface

Adsorption and Self-Assembly of Large Polycyclic Molecules on the Surfaces of TiO2 Single Crystals

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Weakly Interacting Molecular Layer of Spinning C60 Molecules on TiO2 (110) Surfaces

Cited by 26 publications

References 40 publications

Antiphase Boundaries Accumulation Forming a New C60 Decoupled Crystallographic Phase on the Rutile TiO2(110)-(1 × 1) Surface

Antiphase Boundaries Accumulation Forming a New C60 Decoupled Crystallographic Phase on the Rutile TiO2(110)-(1 × 1) Surface

Rotational superstructure in van der Waals heterostructure of self-assembled C60 monolayer on the WSe2 surface

Adsorption and Self-Assembly of Large Polycyclic Molecules on the Surfaces of TiO2 Single Crystals

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Weakly Interacting Molecular Layer of Spinning C₆₀ Molecules on TiO₂ (110) Surfaces

Antiphase Boundaries Accumulation Forming a New C₆₀ Decoupled Crystallographic Phase on the Rutile TiO₂(110)-(1 × 1) Surface

Antiphase Boundaries Accumulation Forming a New C₆₀ Decoupled Crystallographic Phase on the Rutile TiO₂(110)-(1 × 1) Surface

Rotational superstructure in van der Waals heterostructure of self-assembled C₆₀ monolayer on the WSe₂ surface