Water adsorption on the GaN (101-0) nonpolar surface
We present a first-principles study of water adsorption on a wurtzite GaN (101-0) surface. We studied the structures and energetics of water adsorption, calculated the energy barrier for water dissociation, and analyzed the water-water interactions. The results are very different from water adsorption on ZnO (101-0). Water is found to adsorb dissociatively; the energy barrier for the dissociation is negligible. As a result of substrate strain-mediated interactions and hydrogen bonding, dense island agglomerates are energetically favored at submonolayer water coverage. © 2009 American Chemical Society.
Journal of Physical Chemistry C
Shen, X., Allen, P., Hybertsen, M., & Muckerman, J. (2009). Water adsorption on the GaN (101-0) nonpolar surface. Journal of Physical Chemistry C, 113 (9), 3365-3368. https://doi.org/10.1021/jp809499d