Molecular dynamics simulation of the structure of the catalytic system La2O3-?-Al2O3
Por:
Alvarez L.J., Sanz J.F., Capitán M.J., Odriozola J.A.
Publicada:
1 ene 1993
Resumen:
Molecular dynamics simulations of the catalytic system constituted by La2O3 supported on ?-Al2O3 are reported. Our calculations show that increasing the lanthanum concentration in the solid causes a lowering of the vibrational frequencies associated with the Al-O stretch, in qualitative agreement with experiment. © 1993.
Filiaciones:
Dirección General de Servicios de Cómpute Académico, Universidad Nacional Autónoma de México, Circuito Exterior, Ciudad Universitaria, Mexico City, D.F. 04510, Mexico
Departamento de Química Fisica, Facultad de Quimica. Universidad de Sevilla, E-41012 Sevilla, Spain
Departamento de Química Inorgánica, Instituto de Ciencia de Materielles de Sevilla, Universidad de Sevilla, E-41012 Sevilla, Spain
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