title: Dopant-siting selectivity in nanoporous catalysts: control of proton accessibility in zeolite catalysts through the rational use of templates.
abstract: 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.
authors.affiliation: Instituto de Catálisis y Petroleoquímica-CSIC, c/Marie Curie 2, 28049 Cantoblanco, Madrid, Spain. lhortiguela@icp.csic.es
authors.forename: Luis
authors.initials: L
authors.lastname: Gómez-Hortigüela
authors.forename: Ana B
authors.initials: AB
authors.lastname: Pinar
authors.forename: Furio
authors.initials: F
authors.lastname: Corà
authors.forename: Joaquín
authors.initials: J
authors.lastname: Pérez-Pariente