We combine scanning tunneling microscopy (STM) measurements with ab initio calculations to study the self-assembly of long chain alkanes and related alcohol and carboxylic acid molecules on graphite. For each system, we identify the optimum adsorption geometry and explain the energetic origin of the domain formation observed in the STM images. Our results for the hierarchy of adsorbate-adsorbat...

The activated surface diffusion of interacting adsorbates is described in terms of the so-called interacting single adsorbate approximation, which is applied to the diffusion of Na atoms on Cu 001 for coverages up to 20% in quasielastic He atom scattering experiments. This approximation essentially consists of solving the standard Langevin equation with two noise sources and frictions: a Gaussi...

This paper describes a simple and convenient strategy for reducing the dimensions of organic micro-and nanostructures on metal surfaces. By varying electrochemical desorption conditions, features patterned by dip-pen nanolithography or micro contact printing and made of linear alkanethiols or selenols can be gradually desorbed in a controlled fashion. The process is referred to as electrochemic...

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Phonon exchange is the usual cause of decoherence in atom-surface scattering. By including quantum effects in the treatment of Debye-Waller scattering, we show that phonon exchange becomes ineffective when the relevant phonon frequencies are high. The result explains the surprising observation of strong elastic scattering of Ne from a Cu(100) surface nanotextured with a c(2 × 2) Li adsorbate st...

The CO-CO adsorbate interaction on Si(100)-2×1 has been investigated with ab initio molecular orbital and hybrid density functional theory calculations using cluster models of the surface. Different adsorption combinations for one and two CO molecules on singleand double-dimer cluster models, Si9H12 and Si15H16, respectively, are described. Our calculations indicate that the second CO molecule ...

This paper is reporting new finding in the field of adsorbate-adsorbate interaction for supercritical carbon dioxide adsorption by One-Kondo model analysis. Adsorption isotherms for supercritical carbon dioxide on activated carbon Filtrasorb 400 and on zeolite 13X have been evaluated and shown to demonstrate adsorption compression phenomenon at high pressure end just as in subcritical systems. ...

increasing of fresh water consumption and consecutively drought periods caused reduction of renewable freshwater resources in recent years. one of the basic strategies to conquer this problem is using non-conventional water resources particularly reuse of polluted water. in this study, activated carbon derived from walnut shell was used as tertiary treatment. activated carbon powder was used in...

A density functional theory study accounting for van der Waals interactions reveals the potential of metal surface vacancies as anchor points for the construction of user-defined 2D patterns of adsorbate molecules via a controlled self-assembly process. Vice versa, energetic criteria indicate the formation of regular adsorbate-induced vacancies after adsorbate self-assembly on clean surfaces. T...