Precise Orientation of a Single<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mi mathvariant="normal">C</mml:mi><mml:mn>60</mml:mn></mml:msub></mml:math>Molecule on the Tip of a Scanning Probe Microscope

Chiutu, Cristina; Sweetman, Adam; Lakin, Andrew J.; Stannard, Andrew; Jarvis, Samuel; Kantorovich, Lev; Dunn, J L; Moriarty, Philip

doi:10.1103/physrevlett.108.268302

Cited by 59 publications

(53 citation statements)

References 23 publications

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“…Importantly, there were no C 60 molecules on the surface at this time to potentially contaminate the tip apex. We then characterized the NC-AFM imaging and force interaction on the silicon adatoms (i.e., using the Si(111)-7 × 7 adatoms as a "calibration" sample for the tip [10]), and note that the imaging and force spectroscopy values observed are consistent with literature values [8,27] for silicon-terminated tips on the Si(111)-7 × 7 adatoms. This also confirms that the tip was not terminated with, for example, common vacuum contaminants such as CO or OH.…”

Section: Resultssupporting

confidence: 61%

“…After the removal of the molecules the characteristics of the tip change, with peak tip-sample forces of order 300 pN [ Fig. 5(m)], in line with previous measurements of the C 60 -C 60 interaction [10,11,34]-strongly suggesting that the tip has become C 60 terminated.…”

Section: Measurements On Ag(111)supporting

confidence: 74%

“…We also note the slight noncircular appearance of the adatoms, which is suggestive of a tip with some degree of asymmetry (e.g., a dimerlike termination). Surprisingly, the largest attractive tip-sample force between the silicon tip and C 60 molecule is of the order 100-300 pN, comparable to measurements performed with CO or C 60 terminated tips [9,28] and far below the peak attractive forces detected during previous force measurements of the C 60 -Si(111)-7 × 7 adatom interaction [10], or between a C 60 molecule and Cu cluster [11]. Although this method gives the highest certainty of a silicon-terminated tip, it is prohibitively time consuming for normal scanning probe operation, as any slight change in the tip requires the entire procedure to be repeated.…”

Section: Resultsmentioning

confidence: 58%

“…4, and serve to highlight the differences in the interaction between different types of silicon cluster and the C 60 molecule. The results of the simulations with the T4 cluster and the C 60 molecule reproduce the situation where a scanning probe tip is functionalized with a C 60 molecule [10,34] and sitespecific force spectroscopy is performed over the adatoms of the Si(111)-7 × 7 surface. In this situation large tip-sample forces (on the order of 1.5 nN) are measured experimentally, suggestive of a strong chemical interaction between the C 60 molecule and silicon atom.…”

Section: Resultsmentioning

confidence: 59%

“…Surprisingly, we find that many, otherwise reactive, silicon-terminated clusters have an interaction with the carbon cage that is comparable to the interaction measured with CO-or fullerene-terminated probes [9][10][11] and are similarly able to probe the repulsive part of the tip-sample interaction without changes in the tip or manipulation of the molecule. We address the experimental challenges in determining the tip termination by inverse imaging of the tip on well-defined features, and the use of combined scanning tunneling microscopy and noncontact atomic force microscopy (STM/NC-AFM) imaging.…”

Section: Introductionmentioning

confidence: 72%

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Measuring the reactivity of a silicon-terminated probe

Sweetman

Stirling²,

Jarvis

et al. 2016

Phys. Rev. B

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It is generally accepted that the exposed surfaces of silicon crystals are highly reactive due to the dangling bonds which protrude into the vacuum. However, surface reconstruction not only modifies the reactivity of bulk silicon crystals, but also plays a key role in determining the properties of silicon nanocrystals. In this study we probe the reactivity of silicon clusters at the end of a scanning probe tip by examining their interaction with closed-shell fullerene molecules. Counter to intuitive expectations, many silicon clusters do not react strongly with the fullerene cage, and we find that only specific highly oriented clusters have sufficient reactivity to break open the existing carbon-carbon bonds.

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Section: Resultssupporting

confidence: 61%

Section: Measurements On Ag(111)supporting

confidence: 74%

Section: Resultsmentioning

confidence: 58%

Section: Resultsmentioning

confidence: 59%

Section: Introductionmentioning

confidence: 72%

See 3 more Smart Citations

Measuring the reactivity of a silicon-terminated probe

Sweetman

Stirling²,

Jarvis

et al. 2016

Phys. Rev. B

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Structure Formation of C₆₀ on Insulating CaF₂ Substrates: Matching Experiments with Simulations

Janke

Höltkemeier

Kühnle

et al. 2022

Adv Materials Inter

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An extensively studied organic molecule that has become a paradigmatic choice as an adsorbate for deposition experiments is the fullerene C 60 , which has been shown to produce a vast assortment of resulting cluster morphologies on metallic [10][11][12][13][14][15] and insulating [16][17][18][19][20][21][22][23][24][25][26][27][28][29][30][31][32][33][34] substrates. However, even for the self-assembly of such a well-studied molecule, reliable structure predictions and design principles are mostly lacking. Computer simulations can be used to fill this gap and to explore the parameter space efficiently. While first principle and atomistic simulations can account for molecular details, they are prohibitively expensive to access the length and time scales needed to determine cluster morphologies. On large lengths, continuum approaches [35] including phase-field modeling [36] require the input of effective parameters (mobilities, interfacial tensions, etc.). An intermediate particle-resolved technique is the kinetic Monte Carlo (KMC) method, which has been shown to be able to achieve the necessary length and time scales to simulate the cluster growth of several deposition experiments. [37][38][39][40][41][42][43] KMC stochastically advances a number of molecules moving between discrete lattice sites through elementary transitions that depend on the interactions with neighboring molecules.A major issue one faces with KMC simulations is the modeling of the elementary transition rates of the system, which can involve a large amount of free parameters. Typically one reduces that amount by assuming an Arrhenius law for the transition rates and by applying some constraints (like bond counting approaches) on the remaining energy barrier and attempt rate parameters. Pure top-down modeling can easily lead to models that are oversimplified, contain invalid assumptions, or can lead to model parameters that lose their intended physical interpretation. Experimental data is used to tune the remaining parameters of such rate models and one can make use of machine learning techniques [44,45] to optimize the parameter tuning. However, experimental data alone is often insufficient to determine the transition rates of all relevant elementary processes (free diffusion, edge diffusion, ascension, descension, dissociation, etc.).A bottom-up approach to help with the determination of KMC rate models is the use of molecular dynamics (MD) simulations. By assuming interaction potentials for the adsorbate and substrate interactions, one can set up systems in which one can directly measure the transition rates of interest. [37] In refs. [46,47] we have recently developed such an approach and gathered an extensive amount of data from MD simulations to inform KMC rate modelsThe epitaxial growth of metallic thin films has been studied intensively, leading to computational models that can predict diverse morphologies depending on thermodynamic and kinetic growth parameters. Much less is known about thin films of organic molecules. Here kinetic Mont...

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Rasterkraftmikroskopie für die molekulare Strukturaufklärung

et al. 2018

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Mit der Rastersondenmikroskopie kann man auf einer Oberfläche adsorbierte Moleküle individuell und mit hoher Auflösung untersuchen. Die Technik, die bei tiefen Temperaturen und im Ultrahochvakuum durchgeführt wird, liefert Informationen über Struktur, Konfiguration, Ladungszustand, Aromatizität und die Beteiligung von Resonanzstrukturen. Durch Funktionalisierung der Spitze eines Rasterkraftmikroskops mit einem CO‐Molekül können Einzelmoleküle mit atomarer Auflösung abgebildet werden, ihre Adsorptionsgeometrie kann gemessen und die Bindungsordnungen im Molekül können bestimmt werden. Mit der Rastertunnelmikroskopie und der Kelvinsondenkraftmikroskopie kann man zudem die Elektronendichte der molekularen Grenzorbitale bzw. die Ladungsverteilung innerhalb des Moleküls kartieren. In Kombination ergeben diese Methoden ein hochauflösendes Verfahren zur Identifizierung und Charakterisierung von Einzelmolekülen. Die Empfindlichkeit auf Einzelmoleküle sowie die Option, durch Manipulation von Atomen mit der Spitze des Mikroskops chemische Reaktionen auszulösen, eröffnen einzigartige chemische Anwendungsmöglichkeiten und heben die Rastersondenmikroskopie von den klassischen Methoden zur molekularen Strukturaufklärung heraus. Somit kann die Rasterkraftmikroskopie nicht nur bei der Identifizierung von schwer zu bestimmenden Naturstoffen helfen, sondern sie ist auch ein leistungsstarkes und besonders gut geeignetes Instrument, um Oberflächenreaktionen zu untersuchen und Radikale und molekulare Mischungen zu charakterisieren. In diesem Aufsatz zeigen wir auf, welche Entwicklung die hochauflösende Rastersondenmikroskopie mit funktionalisierter Spitze bei der molekularen Strukturaufklärung und ‐charakterisierung in den vergangenen Jahren genommen hat, und erörtern die Herausforderungen der kommenden Jahre.

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Precise Orientation of a SingleC60Molecule on the Tip of a Scanning Probe Microscope

Cited by 59 publications

References 23 publications

Measuring the reactivity of a silicon-terminated probe

Measuring the reactivity of a silicon-terminated probe

Structure Formation of C₆₀ on Insulating CaF₂ Substrates: Matching Experiments with Simulations

Rasterkraftmikroskopie für die molekulare Strukturaufklärung

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Precise Orientation of a SingleC60Molecule on the Tip of a Scanning Probe Microscope

Cited by 59 publications

References 23 publications

Measuring the reactivity of a silicon-terminated probe

Measuring the reactivity of a silicon-terminated probe

Structure Formation of C60 on Insulating CaF2 Substrates: Matching Experiments with Simulations

Rasterkraftmikroskopie für die molekulare Strukturaufklärung

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Structure Formation of C₆₀ on Insulating CaF₂ Substrates: Matching Experiments with Simulations