PERSONAL Sign in with your SPIE account to access your personal subscriptions or to use specific features such as save to my library, sign up for alerts, save searches, etc.
The behavior of water molecules on the (100) surface of BiVO4 has been investigated using first-principles molecular
dynamics in view of the crucial role in photo catalytic activities under visible light irradiation. The simulations show that
H2O molecules are adsorbed in a non-dissociated molecular form on the fivefold coordinated Bi site. The adsorption
energy was estimated to be ~0.58 eV/molecule onto the Bi-exposing surface at 300 K. The band gap of the system
shrinks slightly (by ~0.2 eV) upon water adsorption.
M. Oshikiri,M. Boero,A. Matsushita, andJ. Ye
"Water molecule adsorption properties on BiVO4 surface", Proc. SPIE 6340, Solar Hydrogen and Nanotechnology, 634007 (31 August 2006); https://doi.org/10.1117/12.680178
ACCESS THE FULL ARTICLE
INSTITUTIONAL Select your institution to access the SPIE Digital Library.
PERSONAL Sign in with your SPIE account to access your personal subscriptions or to use specific features such as save to my library, sign up for alerts, save searches, etc.
The alert did not successfully save. Please try again later.
M. Oshikiri, M. Boero, A. Matsushita, J. Ye, "Water molecule adsorption properties on BiVO4 surface," Proc. SPIE 6340, Solar Hydrogen and Nanotechnology, 634007 (31 August 2006); https://doi.org/10.1117/12.680178