Active sites speciation of supported CoMoS phase probed by NO molecule: A combined IR and DFT study

• Published in: Journal of catalysis Vol. 361; pp. 62 - 72
• Main Authors: Caron, Fabien, Rivallan, Mickaël, Humbert, Séverine, Daudin, Antoine, Bordiga, Silvia, Raybaud, Pascal
• Format: Journal Article
• Language: English
• Published: Elsevier Inc 01.05.2018; Elsevier
• Subjects: Alumina; Catalysis; Chemical Sciences; CoMoS; Density functional theory; Hydrodesulfurization; Infrared; MoS2; Silica; NO; Infrared; MoS2; CoMoS; Density functional theory; Alumina; Silica; Hydrodesulfurization

[Display omitted] •CoMoS, MoS2 and Co9S8 are successfully probed by infrared spectrum of NO.•Second derivative analysis enables to identify the key components of each site.•DFT calculations support the assignment of sites probed on CoMoS edges.•The effect of three relevant supports on the IR spectra...