Unveiling the emergence of functional materials with STM: metal phthalocyanine on surface architectures

Sk, Rejaul; Deshpande, Aparna

doi:10.1039/c9me00014c

Cited by 14 publications

(20 citation statements)

References 78 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…This also implies the occurrence of ≈5 charge-transfer events to complete the overall hopping transport across t nCap ≈ 6 nm. Such findings are also in agreement with other CuPc single-molecule investigations performed by probe-tip measurements, [59,60] and also corroborates the expected hole density in the CuPc HOMO, ≈10 21 cm −3 . [61] From the linear fit intercept in Figure 4b, we find λ = (0.93 ± 0.04) eV.…”

Section: Resultssupporting

confidence: 92%

Reorganization Energy upon Controlled Intermolecular Charge‐Transfer Reactions in Monolithically Integrated Nanodevices

Merces

Candiotto

Ferro

et al. 2021

Small

View full text Add to dashboard Cite

Intermolecular electron‐transfer reactions are key processes in physics, chemistry, and biology. The electron‐transfer rates depend primarily on the system reorganization energy, that is, the energetic cost to rearrange each reactant and its surrounding environment when a charge is transferred. Despite the evident impact of electron‐transfer reactions on charge‐carrier hopping, well‐controlled electronic transport measurements using monolithically integrated electrochemical devices have not successfully measured the reorganization energies to this date. Here, it is shown that self‐rolling nanomembrane devices with strain‐engineered mechanical properties, on‐a‐chip monolithic integration, and multi‐environment operation features can overcome this challenge. The ongoing advances in nanomembrane‐origami technology allow to manufacture the nCap, a nanocapacitor platform, to perform molecular‐level charge transport characterization. Thereby, employing nCap, the copper‐phthalocyanine (CuPc) reorganization energy is probed, ≈0.93 eV, from temperature‐dependent measurements of CuPc nanometer‐thick films. Supporting the experimental findings, density functional theory calculations provide the atomistic picture of the measured CuPc charge‐transfer reaction. The experimental strategy demonstrated here is a consistent route towards determining the reorganization energy of a system formed by molecules monolithically integrated into electrochemical nanodevices.

show abstract

Section: Resultssupporting

confidence: 92%

Reorganization Energy upon Controlled Intermolecular Charge‐Transfer Reactions in Monolithically Integrated Nanodevices

Merces

Candiotto

Ferro

et al. 2021

Small

View full text Add to dashboard Cite

show abstract

“…Moreover, they are ideal candidates to study the influence of the interaction between the central metal atom and the surrounding ligands on the overall properties. Commonly, metal phthalocyanines and their derivatives have been investigated on crystalline metal surfaces [43][44][45][46][47][48][49][50][51][52][53][54][55][56][57]. However, the need to electronically decouple organic moieties from the underlying substrates directed the attention towards insulators and/or semiconductors.…”

Section: Introductionmentioning

confidence: 99%

Extended iron phthalocyanine islands self-assembled on a Ge(001):H surface

Zuzak¹,

Szymoński²,

Godlewski³

2021

Beilstein J. Nanotechnol.

View full text Add to dashboard Cite

Self-assembly of iron(II) phthalocyanine (FePc) molecules on a Ge(001):H surface results in monolayer islands extending over hundreds of nanometers and comprising upright-oriented entities. Scanning tunneling spectroscopy reveals a transport gap of 2.70 eV in agreement with other reports regarding isolated FePc molecules. Detailed analysis of single FePc molecules trapped at surface defects indicates that the molecules stay intact upon adsorption and can be manipulated away from surface defects onto a perfectly hydrogenated surface. This allows for their isolation from the germanium surface.

show abstract

“… 54 . Later, these computational STM trained models can be integrated with experiments for active learning processes 50 , 57 .…”

Section: Background and Summarymentioning

confidence: 99%

Computational scanning tunneling microscope image database

et al. 2021

View full text Add to dashboard Cite

We introduce the systematic database of scanning tunneling microscope (STM) images obtained using density functional theory (DFT) for two-dimensional (2D) materials, calculated using the Tersoff-Hamann method. It currently contains data for 716 exfoliable 2D materials. Examples of the five possible Bravais lattice types for 2D materials and their Fourier-transforms are discussed. All the computational STM images generated in this work are made available on the JARVIS-STM website (https://jarvis.nist.gov/jarvisstm). We find excellent qualitative agreement between the computational and experimental STM images for selected materials. As a first example application of this database, we train a convolution neural network model to identify the Bravais lattice from the STM images. We believe the model can aid high-throughput experimental data analysis. These computational STM images can directly aid the identification of phases, analyzing defects and lattice-distortions in experimental STM images, as well as be incorporated in the autonomous experiment workflows.

show abstract

Unveiling the emergence of functional materials with STM: metal phthalocyanine on surface architectures

Abstract: (a) Self-assembly (SA) of CuPc on the step edges of the Bi2Se3 surface, b) CuPc 1D chains in the SA, and c) HOMO–LUMO gap variation of CuPc.

Cited by 14 publications

References 78 publications

Reorganization Energy upon Controlled Intermolecular Charge‐Transfer Reactions in Monolithically Integrated Nanodevices

Reorganization Energy upon Controlled Intermolecular Charge‐Transfer Reactions in Monolithically Integrated Nanodevices

Extended iron phthalocyanine islands self-assembled on a Ge(001):H surface

Computational scanning tunneling microscope image database

Contact Info

Product

Resources

About