Abstract
The typical volcano plot for the catalytic hydrodesulfurization activity of transition metal sulfides (TMSs) results from different nature of the TM-S interactions in layered and isotropic TMSs. This was the conclusion of a topological analysis of the Laplacian of the electronic charge density of 4d TMSs. For layered TMSs (for example MoS2), the S atom of thiophene interacts with a local charge concentration on the TM (as shown in the picture) whereas in the case of isotropic TMSs, such as RuS2, it interacts with a local charge minimum.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
