Deciphering I–V characteristics in molecular electronics with the benefit of an analytical model

Literature Information

Publication Date 2023-11-14
DOI 10.1039/D3CP03877G
Impact Factor 3.676
Authors

Davood Taherinia, C. Daniel Frisbie


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Abstract

We share our perspective that a simple analytical model for electron tunneling in molecular junctions can greatly aid quantitative analysis of experimental data in molecular electronics. In particular, the single-level model (SLM), derived from first principles, provides a precise prediction for the current–voltage (I–V) characteristics in terms of key electronic structure parameters, which in turn depend on the molecular and contact architecture. SLM analysis thus facilitates understanding of structure–property relationships and provides metrics that can be compared across different types of tunnel junctions, as we illustrate with several examples.

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Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
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Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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