Adsorption configurations of Co-phthalocyanine on In2O3(111)

Wagner, M.; Calcinelli, Fabio; Jeindl, Andreas; Schmid, Michael; Hofmann, Oliver; Diebold, Ulrike

doi:10.1016/j.susc.2022.122065

Cited by 5 publications

(7 citation statements)

References 52 publications

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“…A quantitatively similar exaggeration is observed between the experimentally determined adsorption height of the molecule and DFT studies 43 , 51 . The experimental data differs from the previous DFT studies in that there is an overall tilt across the molecule, but such a tilt has previously been observed across experimental images of CoPc on an insulating In 2 O 3 (111) surface at cryogenic temperature 48 .…”

Section: Resultscontrasting

confidence: 92%

“…Using room temperature NC-AFM we can routinely gather multi-dimensional data sets in constant height over both isolated molecules and large islands of molecules. From these, we observe sub-Angstrom distortions of CoPc molecules on the B:Si(111) surface with comparable magnitude to that estimated from previous DFT studies 43 , 51 , and also to low-temperature studies of CoPc on insulating surfaces 48 . The custom-built drift-correction procedure used for room temperature operation is sufficiently robust and versatile that an island of C 60 molecules, spanning ~10 × 10 nm 2 can be characterised in 3D as well.…”

Section: Discussionsupporting

confidence: 84%

“…2 a–d. The constant height images did not reveal the clear, internal chemical structure previously observed with phthalocyanines at low temperature 47 , 48 , or for other molecules at room temperature 30 , 31 , most likely due to a molecular (e.g. CoPc) or multi-atom termination of the tip.…”

Section: Resultsmentioning

confidence: 56%

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Precise determination of molecular adsorption geometries by room temperature non-contact atomic force microscopy

Brown,

Blowey,

Sweetman

2024

Commun Chem

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High resolution force measurements of molecules on surfaces, in non-contact atomic force microscopy, are often only performed at cryogenic temperatures, due to needing a highly stable system, and a passivated probe tip (typically via CO-functionalisation). Here we show a reliable protocol for acquiring three-dimensional force map data over both single organic molecules and assembled islands of molecules, at room temperature. Isolated cobalt phthalocyanine and islands of C60 are characterised with submolecular resolution, on a passivated silicon substrate (B:Si(111)-$$(\sqrt{3}\times \sqrt{3})R3{0}^{\circ }$$ ( 3 × 3 ) R 3 0 ∘ ). Geometries of cobalt phthalocyanine are determined to a ~ 10 pm accuracy. For the C60, the protocol is sufficiently robust that areas spanning 10 nm × 10 nm are mapped, despite the difficulties of room temperature operation. These results provide a proof-of-concept for gathering high-resolution three-dimensional force maps of networks of complex, non-planar molecules on surfaces, in conditions more analogous to real-world application.

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Section: Resultscontrasting

confidence: 92%

Section: Discussionsupporting

confidence: 84%

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Precise determination of molecular adsorption geometries by room temperature non-contact atomic force microscopy

Brown,

Blowey,

Sweetman

2024

Commun Chem

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“…Using RT NC-AFM we can routinely gather multi-dimensional data sets in constant height over both isolated molecules and large islands of molecules. From these, we observe sub-Angstrom distortions of CoPc molecules on the B:Si(111) surface with comparable magnitude to that estimated from previous DFT studies [42,48], and also to low temperature studies of CoPc on insulating surfaces [47]. The custom-built drift-correction procedure used for RT operation is sufficiently robust and versatile that an island of C 60 molecules, spanning ∼ 10 × 10 nm 2 can be characterised in 3D as well.…”

Section: Discussionsupporting

confidence: 76%

Precise Determination of Molecular Adsorption Geometries by Room Temperature Non-Contact Atomic Force Microscopy

Brown,

Blowey,

Sweetman

2023

Preprint

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High resolution force measurements of molecules on surfaces, in non-contact atomic force microscopy, are often only performed at cryogenic temperatures, due to needing a highly stable system, and a passivated probe tip (typically via CO-functionalisation). Here we show for the first time, a reliable protocol for acquiring three-dimensional force map data over both single organic molecules and assembled islands of molecules, at room temperature. Isolated cobalt phthalocyanine and islands of C60 are characterised with submolecular resolution, on a passivated silicon substrate (B:Si(111)-(√3×√3)R30°). Geometries of cobalt phthalocyanine are determined to a ∼10 pm accuracy. For the C60, the protocol is sufficiently robust that areas spanning 10nm×10nm are mapped, despite the difficulties of room temperature operation. These results provide a proof-of-concept for gathering high-resolution three-dimensional force maps of networks of complex, non-planar molecules on surfaces, in conditions more analogous to real-world application.

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“…Different studies have already been carried out on the adsorption of organic molecules on oxides, such as In 2 O 3 [ 13 ] and SrTiO 3 [ 14 ], and transition metal oxides, such as TiO x , MoO x [ 15 ], CoO [ 16 ], MnO [ 17 ], and NiO [ 18 ], focusing on structural deformations, charge transfer mechanisms, magnetic interactions, and the hybridization of the molecular and substrate orbitals. The insulating characteristic and the local magnetism of these substrates produce effects that are at variance with those observed in molecular adsorption on metallic surfaces [ 19 , 20 , 21 ], such as a typically smaller hybridization of the molecular orbitals with the substrate ones, allowing the molecule to preserve its characteristics to a larger extent.…”

Section: Introductionmentioning

confidence: 99%

Ab Initio Electronic, Magnetic, and Optical Properties of Fe Phthalocyanine on Cr2O3(0001)

Marino,

Molteni,

Achilli

et al. 2024

Molecules

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The organic molecules adsorbed on antiferromagnetic surfaces can produce interesting interface states, characterized by charge transfer mechanisms, hybridization of molecular-substrate orbitals, as well as magnetic couplings. Here, we apply an ab initio approach to study the adsorption of Fe phthalocyanine on stoichiometric Cr2O3(0001). The molecule binds via a bidentate configuration forming bonds between two opposite imide N atoms and two protruding Cr ones, making this preferred over the various possible adsorption structures. In addition to the local modifications at these sites, the electronic structure of the molecule is weakly influenced. The magnetic structure of the surface Cr atoms shows a moderate influence of molecule adsorption, not limited to the atoms in the close proximity of the molecule. Upon optical excitation at the onset, electron density moves toward the molecule, enhancing the ground state charge transfer. We investigate this movement of charge as a mechanism at the base of light-induced modifications of the magnetic structure at the interface.

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Adsorption configurations of Co-phthalocyanine on In2O3(111)

Cited by 5 publications

References 52 publications

Precise determination of molecular adsorption geometries by room temperature non-contact atomic force microscopy

Precise determination of molecular adsorption geometries by room temperature non-contact atomic force microscopy

Precise Determination of Molecular Adsorption Geometries by Room Temperature Non-Contact Atomic Force Microscopy

Ab Initio Electronic, Magnetic, and Optical Properties of Fe Phthalocyanine on Cr2O3(0001)

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