Correlating electronic properties of bimetallic surfaces with reaction pathways of C2 hydrocarbons Conference Paper uri icon

abstract

  • A correlation of the electronic properties of bimetallic surfaces with the reaction pathways of C2 hydrocarbons and fragments was presented. The binding of hydrogen, ethylene, acetylene, ethyl and vinyl on monometallic and bimetallic transition metal surfaces was studied using Density Functional Theory. The binding energies of these species correlated with the d-band centers of the monometallic and the bimetallic surfaces. The binding strength increased as d-band center moved closer to the Fermi level. The binding energies for the adsorption of hydrogen on bimetallic surfaces were lower than on the corresponding parent metal surfaces. A similar trend was found for ethylene and acetylene binding. The selectivity for thermodynamically stable bimetallic surfaces was lower than the corresponding parent metals. This is an abstract of a paper presented at the AIChE Annual Meeting (San Francisco, CA 11/12-17/2006).

published proceedings

  • AIChE Annual Meeting, Conference Proceedings

author list (cited authors)

  • Goda, A., Barteau, M. A., & Chen, J. G.

complete list of authors

  • Goda, A||Barteau, MA||Chen, JG

publication date

  • December 2006