Spin-related electronic pathway through single molecule on Au(111)

Zhong, Mingjun; Wu, Qixi; Ma, Liang; Li, Jie; Wang, Yifan; Wang, Yansong; Li, Xin; Zhang, Yajie; Lü, Jing-Tao; Wang, Yongfeng

doi:10.1016/j.cclet.2022.107813

Cited by 5 publications

(5 citation statements)

References 27 publications

(14 reference statements)

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“…The iron atom in the porphyrin core of the FeTPyP molecule has a magnetic moment of approximately 2 μ B in all studied structures. Thus, the FeTPyP molecule is a spin S = 1 system in both gold-supported and free-standing cases, consistent with results for FeTPyP and FeTPP molecules on the same substrate. , …”

Section: Resultssupporting

confidence: 87%

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Structure and Stability of Metalloporphyrin Networks on Au(111)

et al. 2023

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We use density functional theory (DFT) calculations to analyze the properties of FeTPyP self-assembled monolayers (SAMs) and FeTPyP+Fe c metal−organic coordination networks (MOCNs) on Au(111). Through a rigorous step-by-step approach, we determine the relative importance of the multiple competing interactions that determine the optimum structure and stability of both networks. For FeTPyP/Au(111) SAMs, we see a complex energy landscape, with molecules preferring to stay at molecule−molecule distances d op ∼ 13.7 and 14.3 Å. Molecule− surface interactions are more prominent in less dense packing (d op ∼ 14.3 Å), and intermolecular interactions favor the compact structure (d op ∼ 13.7 Å). In the case of the FeTPyP−Fe c /Au(111) MOCN, the strong Fe c −N py bond between the peripheral iron atom Fe c and nitrogen atoms of neighboring pyridyl groups (N py ) is what causes the network development and that the preferred molecule−molecule distance remains at d op ∼ 13.7 Å. Our findings demonstrate the necessity of theoretical treatments that take into account all relevant interactions in order to adequately describe the primary characteristics of surface-supported SAMs and MOCNs.

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Section: Resultssupporting

confidence: 87%

“…Thus, the FeTPyP molecule is a spin S = 1 system in both gold-supported and free-standing cases, consistent with results for FeTPyP and FeTPP molecules on the same substrate. 35,36 Free-Standing and Au-Supported FeTPyP-Fe MOCNs. In this section, we examine the stability and structure of FeTPyP+Fe c /Au(111) MOCN.…”

Section: Sams Of Fetpyp On Au(111)mentioning

confidence: 99%

Structure and Stability of Metalloporphyrin Networks on Au(111)

et al. 2023

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“…Transport calculations for the Fe-tetraphenyl porphyrin on Au(111) similarly appear to favor a different scenario. They predict that a sizable fraction of the tunneling current flows via the metal ion center when the STM tip is placed over an up-pyrrole . In the present case of CoTPPBr 2 I 2 , the current presumably exhibits a similar spatial distribution and the d I /d V spectra of up-pyroles consequently are affected by the Co center.…”

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confidence: 65%

Kondo Effect of Co-Porphyrin: Remarkable Sensitivity to Adsorption Sites and Orientations

Meng,

Möller,

Menchón

et al. 2023

Nano Lett.

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We investigated the Kondo effect of cobalt(II)-5-15-bis(4′-bromophenyl)-10,20-bis(4′-iodophenyl)porphyrin (CoTPPBr 2 I 2 ) molecules on Au(111) with low-temperature scanning tunneling microscopy under ultrahigh vacuum conditions. The molecules exhibit four adsorption configurations at the top and bridge sites of the surface with different molecular orientations. The Kondo resonance shows extraordinary sensitivity to the adsorption configuration. By switching the molecule between different configurations, the Kondo temperature is varied over a wide range from ≈8 up to ≈250 K. Density functional theory calculations reveal that changes of the adsorption configuration lead to distinct variations of the hybridization between the molecule and the surface. Furthermore, we show that surface reconstruction plays a significant role for the molecular Kondo effect.

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“…X-ray photoelectron spectroscopy (XPS) is employed to analyze the chemical characteristics of the assembly structures, including elemental composition, valence state, and electronic structure. 40,41 Theoretical calculations, especially density functional theory (DFT), which enables explanation and prediction of the patterns and helps determine properties such as charge distribution and electronic structure, 42,43 has been extensively used to investigate the adsorption configurations of molecules on solid surfaces, intermolecular interactions, and molecule−substrate interactions. 44 We summarize the recent progress of the structural transformation of molecular assemblies induced by small gas molecules studied mainly by STM and AFM to understand the assembly mechanism at the single-molecule level.…”

mentioning

confidence: 99%

“…At the same time, it provides a convenient method to examine the involved molecular structures in detail. − Surface analysis techniques, such as scanning tunneling microscopy (STM) , and atomic force microscopy (AFM), , allow us to visualize the effects of these small gas molecules on the assembly structures with submolecular resolution. X-ray photoelectron spectroscopy (XPS) is employed to analyze the chemical characteristics of the assembly structures, including elemental composition, valence state, and electronic structure. , Theoretical calculations, especially density functional theory (DFT), which enables explanation and prediction of the patterns and helps determine properties such as charge distribution and electronic structure, , has been extensively used to investigate the adsorption configurations of molecules on solid surfaces, intermolecular interactions, and molecule–substrate interactions …”

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confidence: 99%

Tuning Surface Organic Structures by Small Gas Molecules through Catassembly and Coassembly

Li,

Wang,

et al. 2024

J. Phys. Chem. Lett.

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The field of molecular assembly has seen remarkable advancements across various domains, such as materials science, nanotechnology, and biomedicine. Small gas molecules serve as pivotal modulators, capable of altering the architecture of assemblies via tuning a spectrum of intermolecular forces including hydrogen bonding, dipole−dipole interactions, and metal coordination. Surface techniques, notably scanning tunneling microscopy and atomic force microscopy, have proven instrumental in dissecting the structural metamorphosis and characteristic features of these assemblies at an unparalleled single-molecule resolution. Recent research has spotlighted two innovative approaches for modulating surface molecular assemblies with the aid of small gas molecules: "catassembly" and "coassembly". This Perspective delves into these methodologies through the lens of varying molecular interaction types. The strategies discussed here for regulating molecular assembly structures using small gas molecules can aid in understanding various complex assembly processes and structures and provide guidance for the further fabrication of complex surface structures.

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Spin-related electronic pathway through single molecule on Au(111)

Cited by 5 publications

References 27 publications

Structure and Stability of Metalloporphyrin Networks on Au(111)

Structure and Stability of Metalloporphyrin Networks on Au(111)

Kondo Effect of Co-Porphyrin: Remarkable Sensitivity to Adsorption Sites and Orientations

Tuning Surface Organic Structures by Small Gas Molecules through Catassembly and Coassembly

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