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We perform a combined experimental and theoretical approach to establish the atomistic origin of energy dissipation occurring while imaging a molecular surface with an amplitude modulation atomic force microscope. We show that the energy transferred by a single nano-asperity to a sexithiophene monolayer is about 0.15 eV/cycle. The configuration space(More)
In this paper, we show that simultaneous noncontact atomic force microscopy (nc-AFM) and scanning tunneling microscopy (STM) is a powerful tool for molecular discrimination on the Si(111)-7 × 7 surface, even at room temperature. Using density functional theory modeling, we justify this approach and show that the force response allows us to distinguish(More)
We present a first-principles study of promising hybrid organic-inorganic interface systems consisting of a polypyrrole (PPy) chain sandwiched between metallic Pt(111) or hydrogen-terminated diamond C(111):H electrodes. We combine ab initio density-functional-theory total energy calculations, Green's function approach and the complex band-structure method(More)
We present an extensive first-principles study of the interaction between a silicon oxide nanoasperity and a sexithiophene monolayer in order to investigate the individual molecular processes responsible for the energy dissipation during atomic force microscope (AFM) operation. Our approach includes not only ground-state calculations of the tip–sample(More)
We are concerned with the issue of quantization of a scalar field in a diffeomor-phism invariant manner. We apply the method used in Loop Quantum Gravity. It relies on the specific choice of scalar field variables referred to as the polymer variables. The quantization, in our formulation, amounts to introducing the 'quantum' polymer *-star algebra and(More)
We used time-lapsed scanning tunneling microscopy between 43 and 50 K and density functional theory (DFT) to explore the basic surface diffusion steps of cobalt phthalocyanine (CoPc) molecules on the Ag(100) surface. We show that the CoPc molecules translate and rotate on the surface in the same temperature range. Both processes are associated with similar(More)
We show that the von Neumann–Lüders collapse rules in quantum mechanics always select the unique state that maximises the quantum relative entropy with respect to the premeasurement state, subject to the constraint that the postmeasurement state has to be compatible with the knowledge gained in the measurement. This way we provide an information theoretic(More)
Three-dimensional force spectroscopy measurements on 3,4,9,10-perylene-tetra-carboxylic dianhydride adsorbed on Ag(111) are combined with first-principles calculations to characterize the dissipative tip-molecule interactions with submolecular resolution. The experiments reveal systematic differences between the energy dissipation at the end groups and the(More)