Theoretical Investigation of Design Methodology, Optimized Molecular Geometries, and Electronic Properties of Benzene-Based Single Molecular Switch with Metal Nanoelectrodes

<div>Optimized electronic structure of (a) Ag-BDT-Ag OFF state and (b) Ag-BDT-Ag ON state molecules using the DFT method.</div>

Journal of Nanomaterials

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Figure 2: Theoretical Investigation of Design Methodology, Optimized Molecular Geometries, and Electronic Properties of Benzene-Based Single Molecular Switch with Metal Nanoelectrodes 

Figure 2 | Theoretical Investigation of Design Methodology, Optimized Molecular Geometries, and Electronic Properties of Benzene-Based Single Molecular Switch with Metal Nanoelectrodes 