Density functional theory calculations of hydrogen dissociative adsorption on platinum-involved alloy surfaces

• Main Authors: Kanchanok Kodchakorn, Vannajan Sanghiran Lee, Janchai Yana, Piyarat Nimmanpipug
• Format: Journal
• Published: 2018
• Subjects: Chemistry; Materials Science; Physics and Astronomy
• Online Access: https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84964319333&origin=inward; http://cmuir.cmu.ac.th/jspui/handle/6653943832/55430
• Institution: Chiang Mai University

© 2016 Elsevier B.V. Density functional theory calculations of the H2molecule over the Pt(111), Pt4Pd5(111), Pt3Ir6(111), and Pt8Ru1(111) surfaces were carried out to derive key properties involving interactions and electronic state of each atom. From the calculations, H2dissociative adsorption show...