Electronic transport in metal-molecular nanoelectronic networks: A density functional theory study

Venkataraman, Anusha; Zhang, Po; Papadopoulos, Chris

doi:10.1063/1.5087413

Cited by 10 publications

(2 citation statements)

References 72 publications

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“…Gold is an important material and used as a reference for molecular electronic studies [87,139]. Most of the theoretical works for developing atomic-scale electronic components are performed considering gold as the electrode material [108,122,[139][140][141][142][143][144]. Apart from this, the properties and structures of gold in different orientations have been studied in detail by many researchers both in ultra-high vacuum (UHV) and electrochemical environments [145].…”

Section: Gold: a Universal Reference Materials For Moletronicsmentioning

confidence: 99%

Atomic and Close-to-Atomic Scale Manufacturing: A Review on Atomic Layer Removal Methods Using Atomic Force Microscopy

Mathew

Rodriguez

2020

Nanomanuf Metrol

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Manufacturing at the atomic scale is the next generation of the industrial revolution. Atomic and close-to-atomic scale manufacturing (ACSM) helps to achieve this. Atomic force microscopy (AFM) is a promising method for this purpose since an instrument to machine at this small scale has not yet been developed. As the need for increasing the number of electronic components inside an integrated circuit chip is emerging in the present-day scenario, methods should be adopted to reduce the size of connections inside the chip. This can be achieved using molecules. However, connecting molecules with the electrodes and then to the external world is challenging. Foundations must be laid to make this possible for the future. Atomic layer removal, down to one atom, can be employed for this purpose. Presently, theoretical works are being performed extensively to study the interactions happening at the molecule–electrode junction, and how electronic transport is affected by the functionality and robustness of the system. These theoretical studies can be verified experimentally only if nano electrodes are fabricated. Silicon is widely used in the semiconductor industry to fabricate electronic components. Likewise, carbon-based materials such as highly oriented pyrolytic graphite, gold, and silicon carbide find applications in the electronic device manufacturing sector. Hence, ACSM of these materials should be developed intensively. This paper presents a review on the state-of-the-art research performed on material removal at the atomic scale by electrochemical and mechanical methods of the mentioned materials using AFM and provides a roadmap to achieve effective mass production of these devices.

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Section: Gold: a Universal Reference Materials For Moletronicsmentioning

confidence: 99%

Atomic and Close-to-Atomic Scale Manufacturing: A Review on Atomic Layer Removal Methods Using Atomic Force Microscopy

Mathew

Rodriguez

2020

Nanomanuf Metrol

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“…However, recent works have demonstrated that the solvent’s presence is indeed detectable via scanning tunneling microscopy (STM) topography and STM-break junction (BJ) experiments. In our previous published experimental results, we identified the molecular electronic signature of the aromatic (benzene and toluene) and aliphatic (cyclohexane) molecules. , Although studies have been conducted on the orientation of aromatic solvents with methyl anchoring groups, such as 1,3,5-trimethylbenzene, , there have been no systematic studies exploring the relationship between the electronic transport and the geometric orientation for solvents without anchoring groups, such as benzene, toluene, or cyclohexane.…”

Section: Introductionmentioning

confidence: 99%

Unraveling the Interplay between Quantum Transport and Geometrical Conformations in Monocyclic Hydrocarbons’ Molecular Junctions

Martinez-Garcia,

de Ara,

Pastor-Amat

et al. 2023

J. Phys. Chem. C

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In the field of molecular electronics, especially in quantum transport experiments, determining the geometrical configurations of a single molecule trapped between two electrodes can be challenging. To address this challenge, we employed a combination of molecular dynamics (MD) simulations and electronic transport calculations based on density functional theory to determine the molecular orientation in our break-junction experiments under ambient conditions. The molecules used in this study are common solvents used in molecular electronics, such as benzene, toluene (aromatic), and cyclohexane (aliphatic). Furthermore, we introduced a novel criterion based on the normal vector of the surface formed by the cavity of these ring-shaped monocyclic hydrocarbon molecules to clearly define the orientation of the molecules with respect to the electrodes. By comparing the results obtained through MD simulations and density functional theory with experimental data, we observed that both are in good agreement. This agreement helps us to uncover the different geometrical configurations that these molecules adopt in break-junction experiments. This approach can significantly improve our understanding of molecular electronics, especially when using more complex cyclic hydrocarbons.

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Nanoelectronic circuit elements based on nanoscale metal–molecular networks

et al. 2021

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Electronic transport in metal-molecular nanoelectronic networks: A density functional theory study

Cited by 10 publications

References 72 publications

Atomic and Close-to-Atomic Scale Manufacturing: A Review on Atomic Layer Removal Methods Using Atomic Force Microscopy

Atomic and Close-to-Atomic Scale Manufacturing: A Review on Atomic Layer Removal Methods Using Atomic Force Microscopy

Unraveling the Interplay between Quantum Transport and Geometrical Conformations in Monocyclic Hydrocarbons’ Molecular Junctions

Nanoelectronic circuit elements based on nanoscale metal–molecular networks

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