ArticleNano letters2026
First-Principles Analysis of Chirality-Induced Spin Selectivity at Molecule-Metal Interfaces in Photoemission.
Article in Nano letters, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
Spin-resolved photoelectron spectroscopy (PES) probes chirality-induced spin selectivity, yet it remains unclear whether the measured spin polarization reflects molecular chirality itself or the broader electronic structure of the hybrid interface. We present a first-principles analysis of PES spin polarization at chiral molecule-metal interfaces, treating the interface holistically rather than as a metal substrate plus a separate molecular spin filter/polarizer. Using density functional theory within a three-step photoemission framework, we compute the spin polarization generated in the optical-excitation step for (
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