Interaction between carbon nanotubes and metals

Display Omitted Band gap adjustment of semiconducting CNTs using Pd adatoms possible.Sensor applicability due to conserved band gap sensitivity versus deformation.Only small energy barriers for motion of single Pd adatoms.Most stable CNT metal contacts formed by Pt, intermediate are Al, Cu, and Pd.Similarities regarding binding behavior for CNT decoration and CNT contacting. The interactions between carbon nanotubes (CNTs) and metal adatoms as well as metal contacts are studied by means of ab initio electronic structure calculations. We show that the electronic properties of a semiconducting (8,4) CNT can be modified by small amounts of Pd adatoms. Such a decoration conserves the piezoelectric properties of the CNT. Besides the electronic influence, the stability of a single adatom, which is of big importance for future technology applications, is investigated as well. We find only small energy barriers for the diffusion of a Pd adatom on the CNT surface. Thus, single Pd adatoms will be mobile at room temperature. Finally we present results for the interaction between a metallic (6,0) CNT and metal surfaces. Binding energies and distances for Al, Cu, Pd, Ag, Pt, and Au are discussed and compared, showing remarkable agreement between the interaction of single metal atoms and metal surfaces with CNTs.