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• W2090027440 abstract "The role of the tip in inelastic electron tunneling spectroscopy (IETS) performed with scanning tunneling microscopes (STM) is theoretically addressed via first-principles simulations of vibrational spectra of single carbon monoxide (CO) molecules adsorbed on Cu(111). We show how chemically functionalized STM tips modify the IETS intensity corresponding to adsorbate modes on the sample side. The underlying propensity rules are explained using symmetry considerations for both the vibrational modes and the molecular orbitals of the tip and sample. This suggests that single-molecule IETS can be optimized by selecting the appropriate tip orbital symmetry." @default.
• W2090027440 created "2016-06-24" @default.
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• W2090027440 date "2011-04-08" @default.
• W2090027440 modified "2023-10-13" @default.
• W2090027440 title "Simulation of inelastic electron tunneling spectroscopy of single molecules with functionalized tips" @default.
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• W2090027440 doi "https://doi.org/10.1103/physrevb.83.155417" @default.
• W2090027440 hasPublicationYear "2011" @default.
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