2024
DOI: 10.1002/chem.202303919
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Transport Properties with Multiple Functions of Fe@C60‐GNR Single Molecule

Xiaohui Liu,
Yangyang Hu,
Lu Han
et al.

Abstract: Encouraged by the successful fabrication of C60‐GNR (GNR = graphene nanoribbon) single‐molecule transistors in experiments, four Fe‐containing derived double‐layered devices of Fe@C60‐GNR are designed by employing different electrode linkages and their transport properties are investigated by using density functional theory (DFT) and nonequilibrium Green’s function (NEGF) methods. Regardless of electrode connection, all devices give rise to a smaller negative differential resistance (NDR) peak at V=0.2 and a h… Show more

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