Anticorrelation between the Evolution of Molecular Dipole Moments and Induced Work Function Modifications

Abstract

We explore the limits of modifying metal work functions with large molecular dipoles by systematically increasing the dipole moment of archetype donor-acceptor molecules in self-assembled monolayers on gold. Contrary to intuition, we find that enhancing the dipoles leads to a reduction of the adsorption-induced change of the work function. Using atomistic… (More)

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