First-principles interpretation of electron transport through single-molecule junctions using molecular dynamics of electron attached states
نویسندگان
چکیده
The electron transport through the single-molecule junction of benzene-1,4-diamine (BDA) is modelled using ab initio quantum-classical molecular dynamics attached states. Observations o...
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ژورنال
عنوان ژورنال: Molecular Physics
سال: 2021
ISSN: ['1362-3028', '0026-8976']
DOI: https://doi.org/10.1080/00268976.2021.1999518