STM and DFT Investigations of Isolated Porphyrin on a Silicon‐Based Semiconductor at Room Temperature

Garah, Mohamed El; Makoudi, Younes; Palmino, Frank; Duverger, Eric; Sonnet, Philippe; Chaput, Laurent; Gourdon, André; Cherioux, Frédéric

doi:10.1002/cphc.200900523

Cited by 13 publications

(22 citation statements)

References 38 publications

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“…[12][13][14][15][16][17][18][19][20][21] Most of them are scanning tunneling microscopy/spectroscopy investigations of porphyrins on metal surfaces where the macrocycle is adsorbed flat and the conformation of the meso-substituents will change as a function of the surface termination and the interaction with the substrate. [12][13][14][15][16] There are only a few studies on semiconductor surfaces [17,20] and even fewer experiments using other techniques to extract the porphyrin orientations on surfaces. [18,21] One of these experiments has shown that by changing the macrocycle porphyrin orientation from flat to almost orthogonal to the graphite surface, the function of the system changes as well.…”

Section: Introductionmentioning

confidence: 99%

Substrate Influence for the Zn‐tetraphenyl‐porphyrin Adsorption Geometry and the Interface‐Induced Electron Transfer

Castellarin‐Cudia¹,

Borghetti

Santo³

et al. 2010

ChemPhysChem

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In molecular devices, the importance of interfaces cannot be neglected as they determine charge injection and charge flow and, therefore, the device performance. Herein we report on the interaction of one single layer of Zn-tetraphenyl-porphyrin with Ag(110) and Si(111). Photoemission, near-edge X-ray absorption, and resonant photoemission are used to study the bonding nature, the adsorption geometry as well as the dynamics of electron transfer between the molecules and the metal or semiconductor surfaces. Molecule-substrate charge transfer is driven by the overlap with the molecular pi orbitals. In particular, the coupling of the phenyl legs with the substrate and the relative excited charge injection are dramatically different for the two surfaces considered.

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Section: Introductionmentioning

confidence: 99%

Substrate Influence for the Zn‐tetraphenyl‐porphyrin Adsorption Geometry and the Interface‐Induced Electron Transfer

Castellarin‐Cudia¹,

Borghetti

Santo³

et al. 2010

ChemPhysChem

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“…In the particular case of porphyrins deposited on metallic surfaces, the strength of surface–molecule interactions depends on electronic coupling, in which case the network and symmetry of a surface strongly influence the molecular organization . Once deposited on a metallic surface, the reactivity of porphyrins can be utilized to form covalent assemblies of porphyrin wires along the axis of the lattice .…”

Section: The Increasing Role Played By the Surfacementioning

confidence: 62%

From Models of Hemoproteins to Self‐Assembled Molecular Wires

2017

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In nature, the various properties of tetrapyrrolic macrocycles are mostly due to their proteic environment and result from an evolutionary process that is difficult to reproduce during the lifetime of a synthetic chemist. Thus, the task of synthetic chemists attempting to reproduce the biological role of porphyrin architectures, which perform functions from catalysis to light harvesting, is complicated. This account describes how a phenanthroline‐strapped porphyrin architecture initially designed to afford new hemoprotein models led, over the last two decades, to the preparation of highly linear self‐assembled nano‐objects inspired by light‐harvesting architectures. The approach summarized herein mimics, in a very modest way, the polyvalence of tetrapyrrolic macrocycles found in nature.

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“…It was reported that none of these molecules changes the polarity of the SiC(110) substrate even with dispersion interactions. El Garah et al [90], and Boukari et al [91], studied the adsorption if Cu-5,10,15,20-tetrakis(3,5-ditert-butyl-phenyl) porphyrin (Cu-TBPP) on Si(111) and boron-defect Si(111)-B surfaces respectively using PDFT simulation and in both cases the CuTBPP confirmations on the substrate were determined.…”

Section: Conformational Studies Of Meso-substituted Porphyrins On Submentioning

confidence: 99%

Structure, Properties, and Reactivity of Porphyrins on Surfaces and Nanostructures with Periodic DFT Calculations

2020

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Porphyrins are fascinating molecules with applications spanning various scientific fields. In this review we present the use of periodic density functional theory (PDFT) calculations to study the structure, electronic properties, and reactivity of porphyrins on ordered two dimensional surfaces and in the formation of nanostructures. The focus of the review is to describe the application of PDFT calculations for bridging the gaps in experimental studies on porphyrin nanostructures and self-assembly on 2D surfaces. A survey of different DFT functionals used to study the porphyrin-based system as well as their advantages and disadvantages in studying these systems is presented.

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STM and DFT Investigations of Isolated Porphyrin on a Silicon‐Based Semiconductor at Room Temperature

Cited by 13 publications

References 38 publications

Substrate Influence for the Zn‐tetraphenyl‐porphyrin Adsorption Geometry and the Interface‐Induced Electron Transfer

Substrate Influence for the Zn‐tetraphenyl‐porphyrin Adsorption Geometry and the Interface‐Induced Electron Transfer

From Models of Hemoproteins to Self‐Assembled Molecular Wires

Structure, Properties, and Reactivity of Porphyrins on Surfaces and Nanostructures with Periodic DFT Calculations

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