Adsorption behavior of Fe atoms on a naphthalocyanine monolayer on Ag(111) surface

Yan, Ling; Wu, Rong; Bao, De‐Liang; Ren, Jun; Zhang, Yan Fang; Zhang, Hai Gang; Li, Huang; Wang, Yeliang; Du, Shixuan; Huan, Qing

doi:10.1088/1674-1056/24/7/076802

Cited by 7 publications

(7 citation statements)

References 49 publications

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“…Metal phthalocyanine (MPc) and metal porphyrin (MP) have been synthesized and used as building blocks and functional units for various nanoscale applications, such as chemosensors, active nanocatalysts, organic light-emitting diodes, organic solar cells, and biomedical applications. , Metalation of phthalocyanine (H 2 Pc) or porphyrin (H 2 P), namely, the incorporation of a metal atom at the center of the H 2 Pc or H 2 P molecule, is one way to produce MPcs or MPs with novel physical and chemical properties. − Compared to the conventional synthesis methods that combine certain precursors under specific conditions, the in situ on-surface metalation has advantages such as mild conditions , and high yield . Moreover, in situ on-surface metalation of H 2 Pc, H 2 P, and their derivatives is a superior technique toward the realization of low-dimensional functionalized materials of organometallic compounds. − …”

Section: Introductionmentioning

confidence: 99%

Barrierless On-Surface Metal Incorporation in Phthalocyanine-Based Molecules

Bao

Zhang

et al. 2018

J. Phys. Chem. C

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On-surface metalation of metal-free phthalocyanine derivatives is a simple and solvent-free way to fabricate MPc compounds. Using phthalocyanine (H2Pc) molecules on Ag(111) as an example, we investigated the atomic-scale mechanisms of on-surface metalation processes using first-principles calculations based on density functional theory. When the molecules are deposited on a substrate first, we find that transition-metal atoms, except for Zn, drop directly from the vacuum into the molecule’s cavity without an energy barrier and bond with the inner four nitrogen atoms, with the two pyrrolic H atoms still in place. Subsequently, the two H atoms transfer to the substrate by overcoming small energy barriers and diffuse away. The substrate participates in the reaction by hybridization. In the alternative process, when metal atoms are adsorbed first on the surface and the H2Pc molecules are then added, the metal atoms diffuse into the cavity of the molecule via the molecule–surface interface by overcoming finite energy barriers. The above results provide insights into the on-surface metalation that can guide the control of the reaction pathway and products at the atomic level.

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Section: Introductionmentioning

confidence: 99%

Barrierless On-Surface Metal Incorporation in Phthalocyanine-Based Molecules

Bao

Zhang

et al. 2018

J. Phys. Chem. C

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“…Naphthalocyanine (H 2 Nc), an important class of Pc derivatives with extended π-electronic system, reveals superior optical and electronic properties. ,,− Initial investigations about the H 2 Nc molecules on surfaces are mainly focused on graphite , and insulators. , Recently, H 2 Ncs on metallic substrates such as Au(100), Au(111), , and Ag(111) , have been investigated. Among these studies, the self-assembled structures of densely packed phases such as domain orientations , and underlying mechanical strains have been studied.…”

Section: Introductionmentioning

confidence: 99%

“…10,11,17−22 Initial investigations about the H 2 Nc molecules on surfaces are mainly focused on graphite 23,24 and insulators. 25,26 Recently, H 2 Ncs on metallic substrates such as Au(100), 27 Au(111), 28,29 and Ag(111) 30,31 have been investigated. Among these studies, the selfassembled structures of densely packed phases such as domain orientations 27,28 and underlying mechanical strains 30 have been studied.…”

Section: ■ Introductionmentioning

confidence: 99%

Self-Assembly Evolution of Metal-Free Naphthalocyanine Molecules on Ag(111) at the Submonolayer Coverage

Yan

Bao

et al. 2019

J. Phys. Chem. C

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Structures of self-assembled films play essential roles in the performance of potential organic molecular electronics; therefore, detailed knowledge of molecular adsorption and structural evolution is fundamental for the implementation of molecular electronics. Here, we systematically investigated the initial adsorption and structure evolution of metal-free naphthalocyanine (H 2 Nc) on the Ag(111) surface from dimers to ordered self-assembled structures in the submonolayer range. H 2 Nc molecules deposited on Ag(111) at 100 K accumulate into clusters dominated by dimers. Subsequent sample annealing induces the emergence of two ordered self-assembled structures, denoted by S l and S ll . Molecule-resolved scanning tunneling microscopy images confirm that structure S l is more stable with six rotation domains lying in two chiralities. Deviations of the lattice parameters from a threefold symmetry indicate non-neglectable intermolecular interactions in self-assembled patterns. Combined with density functional theory calculations, orientations of the two inner hydrogens of H 2 Nc in the self-assembled film are revealed.

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“…However, there have so far been very few studies of the properties of sublimed Nc thin films 11,14,15 ; in fact it has been suggested that Nc cannot be sublimed 13 , although the deposition of monolayer coverages have been reported by a number of groups [16][17][18][19][20][21][22] .…”

Section: Introductionmentioning

confidence: 99%

“…Both molecules strongly adsorb light and the larger molecule, Nc, has a more extended π-conjugation system, resulting in an absorption edge at longer wavelength, in the infrared. Both molecules are highly insoluble, and there have been many studies of derivatives which have additional groups which can promote solubility. , Pc can be sublimed readily, and the resulting thin films have been incorporated into a wide range of organic devices. − , However, there have so far been very few studies of the properties of sublimed Nc thin films; ,, in fact it has been suggested that Nc cannot be sublimed, although the deposition of monolayer coverages has been reported by a number of groups. − Consequently it has not been possible to characterize systematically the properties of sublimed Nc thin films.…”

Section: Introductionmentioning

confidence: 99%

Naphthalocyanine Thin Films and Field Effect Transistors

2016

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Naphthalocyanine (Nc) thin films have been grown by sublimation on SiO2. We have used atomic force microscopy and X-ray diffraction to show that the films are disordered for room temperature deposition, but show a highly crystalline needle-like morphology for a substrate temperature of ~200 o C. Field effect transistors exhibit p-channel operation with a mobility, which has a peak value of 0.052 cm 2 /Vs, showing a high dependence on substrate temperature. Exposure to atmosphere results in an increase in current and mobility and a reduction in threshold voltage. We compare our results with films formed from analogue molecules such as phthalocyanines and naphthalocyanine functionalised with solubilising sidegroups and discuss the potential of Nc for applications in organic electronics and sensors.

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Adsorption behavior of Fe atoms on a naphthalocyanine monolayer on Ag(111) surface

Cited by 7 publications

References 49 publications

Barrierless On-Surface Metal Incorporation in Phthalocyanine-Based Molecules

Barrierless On-Surface Metal Incorporation in Phthalocyanine-Based Molecules

Self-Assembly Evolution of Metal-Free Naphthalocyanine Molecules on Ag(111) at the Submonolayer Coverage

Naphthalocyanine Thin Films and Field Effect Transistors

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