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We study theoretically and experimentally the infrared (IR) spectrum of an adamantane monolayer on a Au(111) surface. Using a new STM-based IR spectroscopy technique (IRSTM) we are able to measure both the nanoscale structure of an adamantane monolayer on Au(111) as well as its infrared spectrum, while DFT-based ab initio calculations allow us to interpret the microscopic vibrational dynamics revealed by our measurements. We find that the IR spectrum of an adamantane monolayer on Au(111) is substantially modified with respect to the gas-phase IR spectrum. The first modification is caused by the adamantane--adamantane interaction due to monolayer packing and it reduces the IR intensity of the 2912 cm$^{-1}$ peak (gas phase) by a factor of 3.5. The second modification originates from the adamantane--gold interaction and it increases the IR intensity of the 2938 cm$^{-1}$ peak (gas phase) by a factor of 2.6, and reduces its frequency by 276 cm$^{-1}$. We expect that the techniques described here can be used for an independent estimate of substrate effects and intermolecular interactions in other diamondoid molecules, and for other metallic substrates.
Pinning single molecules at desired positions can provide opportunities to fabricate bottom-up designed molecular machines. Using the combined approach of scanning tunneling microscopy and density functional theory, we report on tip-induced anchoring
We compute the AC susceptibility of a weakly dipolar-interacting monodisperse assembly of magnetic nanoclusters with oriented anisotropy. For this purpose we first compute the relaxation rate in a longitudinal magnetic field of a single nanomagnet ta
Recent experiments have found that monolayer 1H-TaS2 grown on Au(111) lacks the charge density wave (CDW) instability exhibited by bulk 2H-TaS2. Additionally, angle-resolved photoemission spectroscopy measurements suggest that the monolayer becomes s
N-Heteropolycyclic aromatic compounds are promising organic electron-transporting semiconductors for applications in field effect transistors. Here, we investigated the electronic properties of 1,3,8,10-tetraazaperopyrene derivatives adsorbed on Au(1
We present results of experiments to reproduce the bottom-up formation of covalently bonded molecular nanostructures from single molecular building blocks, previously demonstrated on various coinage metal surfaces, on a technologically more relevant