Preliminary investigation on dissociation of water on iron surface (001)

• Main Authors: Villagracia, Al Rey C., Diño, Wilson, Kasai, Hideaki
• Format: text
• Published: Animo Repository 2011
• Subjects: Dissociation; Surface chemistry; Biological and Chemical Physics; Physical Sciences and Mathematics; Physics
• Online Access: https://animorepository.dlsu.edu.ph/faculty_research/12310
• Institution: De La Salle University

Reactions of iron and magnetite to water are cheap ways for hydrogen gas production that is needed for alternative source of energy. The cyclic transformation of iron to magnetite and magnetite to iron leads to the cyclic production of H2 and water. In this study, density functional theory (DFT) inv...