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

• Main Authors: Kodchakorn K., Lee V., Yana J., Nimmanpipug P.
• 格式: 雜誌
• 出版: 2017
• 在線閱讀: https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84964319333&origin=inward; http://cmuir.cmu.ac.th/jspui/handle/6653943832/41308

© 2016 Elsevier B.V. Density functional theory calculations of the H 2 molecule over the Pt(111), Pt 4 Pd 5 (111), Pt 3 Ir 6 (111), and Pt 8 Ru 1 (111) surfaces were carried out to derive key properties involving interactions and electronic state of each atom. From the calculations, H 2 dissociati...