Tuning charge transport in polydopamine tetramers via oxidation state and orientation in supramolecular junctions with gold contacts: An ab initio DFT study
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This work presents a comprehensive computational investigation of gold-polydopamine supramolecular junctions and their electronic properties using density functional theory (DFT) and non-equilibrium Green's functions (NEGF) methodology. Non-covalent interacti... ...
