Self-assembly of a two-dimensional molecular layer in a nonhomogeneous electric field: Kinetic Monte Carlo simulations

Rozbořil, Filip; Ošt’ádal, Ivan; Sobotík, P.; Kocán, Pavel

doi:10.1103/physreve.99.032110

Cited by 4 publications

(7 citation statements)

References 21 publications

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“…These dipoles are attracted or repelled by a strong and high-gradient electric field of the STM tip, which increases or decreases molecular concentration at the observed area. The mechanism proposed in ref was further supported by kinetic Monte Carlo simulations . Another observation of manipulating F 0 CuPC molecules by means of an STM tip can be found on the Bi surface. , …”

Section: Resultsmentioning

confidence: 59%

“…This result agrees well with experimentally observed high stability of the F 8 CuPC OCP structure in the electric field of the STM tip. The kinetic Monte Carlo simulations in ref also show that the difference in the cohesive energy from Table should result in significant stabilization of the OCP structure without the electric field (note that the OCP energy used in ref corresponds to each molecular pair; thus, the corresponding cohesive energy used here is 4-times higher).…”

Section: Resultsmentioning

confidence: 89%

“…The mechanism proposed in ref 33 was further supported by kinetic Monte Carlo simulations. 35 Another observation of manipulating F 0 CuPC molecules by means of an STM tip can be found on the Bi surface. 45,46 The OCP stability is closely related to the local concentration, the stable OCP concentration (1 ML) can be obtained by corresponding deposition or by applying the electric field in case of submonolayer amount.…”

Section: ■ Results and Discussionmentioning

confidence: 99%

“…At lower coverages, the ordering can be achieved locally by increasing the coverage using the electric field of a scanning tunneling microscope (STM) tip. 33,35 A completely different behavior was observed in the case of the F 16 CuPC molecules, which have a strong tendency to form a 2D gas instead of an ordered close-packed (OCP) phase, which allowed the molecular correlations within the gas phase to be studied by STM. 34 Here we study two molecular layers with possibility of stabilization by C−H•••F hydrogen-like bonds: the binary mixture of F 16 CuPC with F 0 CuPC and single-species F 8 CuPC.…”

Section: ■ Introductionmentioning

confidence: 99%

“…We found that the F 0 CuPC molecules form ordered structures at full ML coverage. At lower coverages, the ordering can be achieved locally by increasing the coverage using the electric field of a scanning tunneling microscope (STM) tip. , A completely different behavior was observed in the case of the F 16 CuPC molecules, which have a strong tendency to form a 2D gas instead of an ordered close-packed (OCP) phase, which allowed the molecular correlations within the gas phase to be studied by STM …”

Section: Introductionmentioning

confidence: 99%

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Stability of Partially Fluorinated Phthalocyanine Monolayers: Influence of Hydrogen Bonding Revisited

et al. 2019

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Hydrogen-like bonding between halogen and hydrogen atoms is widely accepted as the driving force in self-ordering process of various molecular layers. A proper understanding of how the molecular periphery influences the self-ordering is crucial for formation of structurally and electronically well-defined interfaces. To probe the stability of ordered molecular layers of phthalocyanines with various fluorination on the Si(111)-Tl 1 × 1 surface we introduce utilization of a strong electric field of the tip of the scanning tunneling microscope. Ab-initio calculations on extended lattices are used to distinguish molecule–substrate and intermolecular interactions. A systematic comparison of combinations of phthalocyanines with various fluorination provides an understanding of how the molecular periphery influences the intermolecular interaction. We demonstrate that the straightforward explanation of the process of self-ordering by hydrogen-like bonding is not acceptable in the studied case.

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Section: Resultsmentioning

confidence: 59%

Section: Resultsmentioning

confidence: 89%

Section: ■ Results and Discussionmentioning

confidence: 99%

Section: ■ Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 3 more Smart Citations

Stability of Partially Fluorinated Phthalocyanine Monolayers: Influence of Hydrogen Bonding Revisited

et al. 2019

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Phthalocyanine thin films on Si(111)

Franz

2024

Inorganica Chimica Acta

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Self-Assembly Dynamics and Stability through Concentration Control at the Solution/HOPG Interface

2022

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Understanding the formation kinetics and thermodynamics of self-assembled monolayers (SAMs) provides an insight into the delicate balance of intermolecular forces on the molecular scale. We herein investigate the growth, dynamics, and stability of a model noncovalent self-assembler, Co(II) octaethylporphyrin, at the solution−HOPG interface. Real-time imaging of the nucleation and growth of the self-assembled layer was captured and studied via scanning tunneling microscopy (STM) and further explored using computational methods. A custom STM solution flow cell was designed and implemented to allow for in situ monitoring of selfassembly at very low concentrations and with volatile solvents. Flow studies at low concentration provide an insight into early-stage formation kinetics and structure of the SAMs formed. It was found that the choice of organic solvent plays a dramatic role in the kinetics and structure of the SAM. These results, in turn, provide insight into the balance of the intermolecular forces driving the self-assembly. The role of the solvent was particularly strong in the case of 1,2,4-trichlorobenzene (TCB). Under TCB, a very stable rectangular structure is formed and stabilized by solvent incorporation. A transition to a solvent-free pseudo-hexagonal structure was only observed when the porphyrin was at near-solubility limit concentrations. Only the pseudo-hexagonal structure was observed in the porphyrin adlayer when toluene, decane, and 1phenyloctane were used as solvents. Mixed solvent competition was tested and gave further insight into the role solvent plays in the thermodynamics and kinetics of self-assembly.

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Self-assembly of a two-dimensional molecular layer in a nonhomogeneous electric field: Kinetic Monte Carlo simulations

Cited by 4 publications

References 21 publications

Stability of Partially Fluorinated Phthalocyanine Monolayers: Influence of Hydrogen Bonding Revisited

Stability of Partially Fluorinated Phthalocyanine Monolayers: Influence of Hydrogen Bonding Revisited

Phthalocyanine thin films on Si(111)

Self-Assembly Dynamics and Stability through Concentration Control at the Solution/HOPG Interface

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