Consecutive Mechanism in the Diffusion of D2O on a NaCl(100) Bilayer

ACS Nano. 2015 Apr 28;9(4):3572-8. doi: 10.1021/acsnano.5b00691. Epub 2015 Mar 6.

Abstract

The motion of D2O monomers is investigated on a NaCl(100) bilayer on Ag(111) between 42.3 and 52.3 K by scanning tunneling microscopy. The diffusion distance histogram reveals a squared diffusion lattice that agrees with the primitive unit cell of the (100) surface. From the Arrhenius dependence, we derive the diffusion energy, the pre-exponential factor, and the attempt frequency. The mechanism of the motion is identified by comparison of the experimental results to theoretical calculations. Via low temperature adsorption site determination in connection with density functional theory, we reveal an influence of the metallic support onto the intermediate state of the diffusive motion.

Keywords: density functional theory; diffusion of adsorbates; salt; scanning tunneling microsopcy; water.

Publication types

  • Research Support, Non-U.S. Gov't