Squeezed Protons and Infrared Plasmonic Resonance Energy Transfer
Tao E. Li,
Eno Paenurk,
Sharon Hammes-Schiffer
Abstract:Unusual nuclear quantum effects may emerge near noble metal nanostructures such as squeezed vibrational states in molecular junctions and plasmonic resonance energy transfer in the infrared domain. Herein, nuclear quantum effects near heavy metals are studied by nuclear−electronic orbital density functional theory (NEO-DFT) with an effective core potential. For a quantum proton sandwiched between a pair of gold tips modeled by two Au 6 clusters, NEO-DFT calculations suggest that the quantum proton density can … Show more
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