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W A Hofer

Publications and source records attributed to W A Hofer.

6 recordsLinked to original sources

Role of lateral alkyl chains in modulation of molecular structures on metal surfaces.

We use low energy electron diffraction, scanning tunneling microscopy, first-principles density-functional theory, and molecular mechanics calculations to analyze the adsorption and growth of quinacridone derivatives (QA) with alkyl chains of 4 and 16 carbon atoms on a Ag(110) substrate. Surprisingly, we find that the alkyl chains determine the orientation of the molecular overlayers. While the interaction of QA and the Ag substrate is primarily due to chemical bonding of oxygen to the silver substrate, determining the molecular orientation and preferred adsorption site, the intermolecular arrangement can be adjusted via the length of alkyl chains. We are thus able to fabricate uniform QA films with very well controlled physical properties.

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Selective analysis of molecular states by functionalized scanning tunneling microscopy tips.

Selective analysis of molecular states in scanning tunneling microscopy (STM) has so far been achieved in a few cases by tuning the bias range of the STM in high-resolution measurements. Correspondingly, perylene adsorbed in a close-packed monolayer on Ag(110) is imaged mainly through the pi states of the molecule. By contrast, functionalizing the STM tip with a perylene molecule leads to a mismatch between the energy levels of the STM tip and the molecule adsorbates and, instead, images only the metal states of the underlying silver surface. The observation opens a route for better energy selectivity in electron transport measurements through organic interfaces.

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Atom transfer and single-adatom contacts.

The point contact of a tunnel tip approaching towards Ag(111) and Cu(111) surfaces is investigated with a low temperature scanning tunneling microscope. A sharp jump to contact, random in nature, is observed in the conductance. After point contact, the tip-apex atom is transferred to the surface, indicating that a one-atom contact is formed during the approach. In sharp contrast, the conductance over single silver and copper adatoms exhibits a smooth and reproducible transition from tunneling to contact regime. Numerical simulations show that this is a consequence of the additional dipolar bonding between the adatom and the surface atoms.

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Contrast reversal and shape changes of atomic adsorbates measured with scanning tunneling microscopy.

Systematic, quantitative comparisons between scanning tunneling microscopy (STM) experiments and first principles simulations of O(2 x 2)/Ru(0001) have been performed. The shape of the atomic adsorbates in the images depends strongly on the tunneling resistance and changes reversibly from circular (high resistance) to triangular (low resistance). In addition, after adsorption of oxygen on the STM tip we observe a contrast reversal on the surface, confirmed by extensive numerical simulations.

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Signature of a chemical bond in the conductance between two metal surfaces.

Conductance in monatomic metal contacts is quantized; it increases in discrete steps of one conductance quantum 2e(2)/h. By contrast, in a vacuum barrier between two metal surfaces we find that conductance increases linearly and continuously with the interaction energy between individual atoms. This behavior shows unambiguously that current flow between single atoms is a measure for their chemical interaction. In the controlled environment of a scanning tunneling microscope it should allow us to study the formation of covalent bonds up to the point where these atoms finally jump into contact.

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Surface relaxations, current enhancements, and absolute distances in high resolution scanning tunneling microscopy.

We have performed the most realistic simulation to date of the operation of a scanning tunneling microscope. Probe-sample distances from beyond tunneling to actual surface contact are covered. We simultaneously calculate forces, atomic displacements, and tunneling currents, allowing quantitative comparison with experimental values. A distance regime below which the probe becomes unstable is identified. It is shown that the real distance differs substantially from previous estimates because of large atomic displacements on the surface and at the probe tip.

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