Journal
CATALYSIS LETTERS
Volume 91, Issue 3-4, Pages 247-252Publisher
SPRINGER
DOI: 10.1023/B:CATL.0000007163.01772.19
Keywords
molybdenum; molybdenum carbide; molybdenum nitride; molybdenum phosphide; catalytic property; carbon monoxide; hydrodesulfurization
Categories
Ask authors/readers for more resources
The control and optimization of the catalytic properties of nonexpensive early transition metals is an important issue in the chemical industry. Density functional theory was employed to study the relative stability and chemical activities of molybdenum carbides, nitrides and phosphides. The results show that molybdenum phosphides display the highest reactivity toward CO and sulfur adsorption as compared to molybdenum carbides and nitrides. Considering the better catalysts, those that combine high stability and a reasonable chemical activity, we observe that the catalytic potential of these systems should increase following the sequence: Mo < MoC approximate to MoN < MoP. An electronic analysis is included to understand the better performance of molybdenum phosphide.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available