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: Energy; Agricultural and Biological Sciences; Arts and Humanities
• Online Access: https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85020786524&origin=inward; http://cmuir.cmu.ac.th/jspui/handle/6653943832/46519
• Institution: Chiang Mai University

© 2017 Elsevier B.V. Understanding of molecular hydrogen (H 2 ) activation mechanism on MoS 2 -based catalysts is crucial for enhancement of catalytic hydrotreating processes. In this work, H 2 activation reaction pathways including adsorption, dissociation, and diffusion phases on metal edge of par...