Characterizing and Understanding Divalent Adsorbates on Carbon Nanotubes with Ab Initio and Classical Approaches: Size, Chirality, and Coverage Effects
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The recent development of temperature controlled scanning tunneling microscopy opened the door to a fascinating new world on the nanometer scale. The atomic scale information obtained provides unprecedented insight into the kinetics of surface phenomena su ...
The adsorption behaviour of Si(111)2 x 1 and Si(111)7 x 7 surfaces towards Fe(CO)5 has been investigated in the temperature range 80-300 K and in the exposure range 0.1-1000 L. For both surface reconstructions, the adsorption state is found to be molecular ...
The structure and energetics of the hexagonal reconstruction of Ir(100) have been determined with first principles density functional theory calculations based on the local-density approximation with the generalised-gradient correction. The results reprodu ...
