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Title: Catalysis by transition metal sulfides: theoretical and experimental study of the relation between the synergic systems and the binary transition metal sulfides

Journal Article · · J. Catal.; (United States)

Both a systematic experimental study of the promoting effect of the first row transition metals on the hydrodesulfurization (HDS) activity of MoS/sub 2/ and a systematic theoretical study of the electronic structure of simple clusters which model these catalyst systems have been carried out. A comparison of measured trends in activity with calculated trends in electronic structure makes it possible to establish an electronic basis for the promotion effects observed in the MoS/sub 2/ systems. Both Co and Ni, which serve as promoters, have the ability to donate electrons to Mo, while Cu, which serves as a poison, withdraws electrons from Mo. The other first row transition metals, which have little effect on the HDS activity of MoS/sub 2/, do not have the ability to donate to or accept electrons from Mo. Thus promotion is associated with an increase in electron density on Mo while poisoning is associated with a decrease in electron density. These results are consistent with previous results which related particular electronic factors to the HDS activity of binary sulfide catalysts.

Research Organization:
Exxon Research and Engineering Co., Annandale, NJ (USA)
OSTI ID:
5231204
Journal Information:
J. Catal.; (United States), Vol. 98:1
Country of Publication:
United States
Language:
English