Reaction and free-energy pathways of hydrogen activation on partially promoted metal edge of CoMoS and NiMoS: A DFT and thermodynamics study

• Main Authors: Chanchai Sattayanon, Supawadee Namuangruk, Nawee Kungwan, Manaschai Kunaseth
• Format: Journal
• Published: 2018
• Subjects: Chemical Engineering; Energy
• Online Access: https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85020786524&origin=inward; http://cmuir.cmu.ac.th/jspui/handle/6653943832/56897
• Institution: Chiang Mai University

© 2017 Elsevier B.V. Understanding of molecular hydrogen (H2) activation mechanism on MoS2-based catalysts is crucial for enhancement of catalytic hydrotreating processes. In this work, H2activation reaction pathways including adsorption, dissociation, and diffusion phases on metal edge of partially...