First principles investigation for H2 dissociative adsorption on Ni and Cr-decorated Ni surfaces - An application to alkaline polymer electrolyte fuel cell

• Main Authors: Padama, Allan Abraham B., Escaño, Mary Clare S., Kasai, Hideaki, David, Melanie Y., Kawai, Hiroyuki
• Format: text
• Published: Animo Repository 2010
• Subjects: Density functionals; Nickel-plating; Adsorption; Physics
• Online Access: https://animorepository.dlsu.edu.ph/faculty_research/1571; https://animorepository.dlsu.edu.ph/context/faculty_research/article/2570/type/native/viewcontent
• Institution: De La Salle University

In this research, density functional theory (DFT) calculations for H 2 dissociative adsorption on Ni(111) and Cr-decorated Ni surfaces are performed to compare and understand the adsorption mechanism on both surfaces as an application to alkaline polymer electrolyte fuel cell (APEFC). The Cr-decorat...