Thiophene adsorption studies on clean and hydrogen-preadsorbed MoS2(100) surface

Jayamurthy, M. ; Vasudevan, S. (1997) Thiophene adsorption studies on clean and hydrogen-preadsorbed MoS2(100) surface Catalysis Letters, 44 (1-2). pp. 51-56. ISSN 1011-372X

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Official URL: http://www.springerlink.com/content/g6r526532p5804...

Related URL: http://dx.doi.org/10.1023/A:1018900303182

Abstract

It is known from temperature-programmed desorption studies that the binding energy of thiophene over Mo/γ-Al2O3 and Co-Mo/γ-Al2O3, hydrodesulfurization catalysts, is lower in the presence of hydrogen. The adsorption of thiophene on clean and hydrogen-adsorbed MoS2 was modelled using extended Hückel tight binding band structure calculations. In the η1 adsorption configuration the calculations show a lower binding energy for adsorption on the hydrogen-preadsorbed surface similar to that observed experimentally. The lowering is due to an increased occupancy of the Mo density of states in the presence of hydrogen.

Item Type:Article
Source:Copyright of this article belongs to Springer.
Keywords:Hydrodesulfurization Catalysts; Molybdenum Disulfide; Extended Hückel Calculations
ID Code:58553
Deposited On:31 Aug 2011 12:11
Last Modified:31 Aug 2011 12:11

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