A MnN4 moiety embedded graphene as a magnetic gas sensor for CO detection: A first principle study

• Main Authors: Sarawoot Impeng, Anchalee Junkaew, Phornphimon Maitarad, Nawee Kungwan, Dengsong Zhang, Liyi Shi, Supawadee Namuangruk
• Format: Journal
• Published: 2019
• Subjects: Materials Science; Chemistry; Physics and Astronomy
• Online Access: https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85059171743&origin=inward; http://cmuir.cmu.ac.th/jspui/handle/6653943832/63675
• Institution: Chiang Mai University

© 2018 Elsevier B.V. The feasibility of using a MnN4 moiety embedded graphene (MnN4-GP) as a gas sensor was investigated by density functional theory calculations. Thirteen gas molecules (CO, CO2, NO, NO2, N2O, SO2, NH3, H2O, H2S, CH4, O2, H2 and N2) were considered. The adsorption behaviors of thes...