Chain growth mechanism on bimetallic surfaces for higher alcohol synthesis from syngas

• Main Authors: Wang, Jingbo, Zhang, Xiurong, Sun, Qiang, Chan, Siew Hwa, Su, Haibin
• Other Authors: School of Materials Science & Engineering
• Format: Article
• Language: English
• Published: 2015
• Subjects: DRNTU::Engineering::Mechanical engineering; DRNTU::Engineering::Materials::Mechanical strength of materials
• Online Access: https://hdl.handle.net/10356/107128; http://hdl.handle.net/10220/25275
• Institution: Nanyang Technological University

Density function theory calculations are performed to investigate the chain growth mechanism on bimetallic surfaces during the syngas conversion. The weighted d-band center correlates well with the adsorption energy of two reactants on bimetallic surface. The boundary between Cu and Co domains facil...