Now showing items 1-2 of 2
Single layer PbI2: Hydrogenation-driven reconstructions
(Royal Society of Chemistry, 2016)
By performing density functional theory-based calculations, we investigate how a hydrogen atom interacts with the surfaces of monolayer PbI2 and how one- and two-side hydrogenation modifies its structural, electronic, and ...
Hydrogen-induced sp2-sp3 rehybridization in epitaxial silicene
(American Physical Society, 2017-12)
We report on the hydrogenation of (3×3)/(4×4) silicene epitaxially grown on Ag(111) studied by in situ Raman spectroscopy and state-of-the-art ab initio calculations. Our results demonstrate that hydrogenation of (3×3)/(4×4) ...