Dimer-induced stabilization of H adsorbate cluster on BN(0001) surface

作者：Weck Philippe F^*; Kim Eunja; Lepp Stephen H; Balakrishnan Naduvalath; Sadeghpour H R

来源：Physical Chemistry Chemical Physics, 2008, 10(34): 5184-5187.

DOI：10.1039/b809081p

Using first-principles calculations, we have studied successive adsorption of hydrogen atoms on a sp(2)-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.

• 出版日期2008