TY - JOUR AU - Arellano, Juan Salvador AU - Molina Martín, Luis Miguel AU - López Santodomingo, María José AU - Alonso Martín, Julio Alfonso PY - 2024 SN - 0927-0256 UR - https://uvadoc.uva.es/handle/10324/73294 AB - The adsorption of intact and dissociated water molecules on the surfaces of the Pt3Zr alloy and pure Zr have been investigated by means of density functional theory simulations. In each case, a varying amount of water molecules was placed on the... LA - eng PB - Elsevier TI - Pt3Zr alloy as a protective coating against oxidation and hydrogen attack on Zr-based components in nuclear reactors DO - 10.1016/j.commatsci.2024.113313 ER -