Unconventional electro-mechanical response in Ferrocene assisted gold atomic chain
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资源简介：
Geometrically optimised (DFT) ferrocene-gold molecular break junctions and NEGF transport calculations for the given junctions. Parallel (para) and perpendicular (perp) geometries are available with 0, 1 (-1-0) or 2 (-1-1) chain atoms. For given setup, several electrode-electrode distances are available. Furthermore, offset(misaligned) junction geometries are also presented.
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Zenodo创建时间：
2025-09-01
