title: Dimer-induced stabilization of H adsorbate cluster on BN(0001) surface.
abstract: Using first-principles calculations, we have studied successive adsorption of hydrogen atoms on a sp2-bonded boron nitride graphitic sheet. Our calculations show that clustering proceeds through the creation of contiguous H-H orthodimer structures stabilizing the H adsorbate cluster on the BN(0001) surface, leading eventually to the formation of hydrogen-contiguous boat-shaped quartets.
authors: Department of Chemistry, University of Nevada Las Vegas, Las Vegas, NV 89154, USA. weckp@unlv.nevada.edu
authors: Philippe F
authors: PF
authors: Weck
authors: Eunja
authors: E
authors: Kim
authors: Stephen H
authors: SH
authors: Lepp
authors: Naduvalath
authors: N
authors: Balakrishnan
authors: H R
authors: HR
authors: Sadeghpour