Unraveling current-induced dissociation mechanisms in single-molecule junctions
Yaling Ke,
André Erpenbeck,
Uri Peskin
et al.
Abstract:Understanding current-induced bond rupture in single-molecule junctions is both of fundamental interest and a prerequisite for the design of molecular junctions, which are stable at higher bias voltages. In this work, we use a fully quantum mechanical method based on the hierarchical quantum master equation approach to analyze the dissociation mechanisms in molecular junctions. Considering a wide range of transport regimes, from off-resonant to resonant, non-adiabatic to adiabatic transport, and weak to strong… Show more
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