Dopant-siting selectivity in nanoporous catalysts: control of proton accessibility in zeolite catalysts through the rational use of templates.
A computational study is performed to rationalize the effect of the organic template molecules used in the synthesis of zeolites on their catalytic behaviour. Apart from being structure-directing, these molecules influence the location of heteroatoms. Molecules bearing acidic protons susceptible to forming H-bonds with framework oxygens show the strongest dopant-siting direction.
Gómez-Hortigüela
Luis
L
Instituto de Catálisis y Petroleoquímica-CSIC, c/Marie Curie 2, 28049 Cantoblanco, Madrid, Spain. lhortiguela@icp.csic.es
Pinar
Ana B
AB
Corà
Furio
F
Pérez-Pariente
Joaquín
J