title: A route to drastic increase of CO2 uptake in Zr metal organic framework UiO-66.
abstract: CO2 uptake in zirconium MOF UiO-66 almost doubles with post-synthetic exchange of Zr by Ti. This was due to smaller pore size and higher adsorption enthalpy, with good complementarity between experiment and simulation. Furthermore, the full effect is obtained with ~50% Ti loading, precluding the need to fully substitute frameworks for CO2 capture.
authors.affiliation: CSIRO Division of Materials Science and Engineering, Private Bag 33, Clayton South MDC, VIC3169, Australia. cherhon.lau@csiro.au
authors.forename: Cher Hon
authors.initials: CH
authors.lastname: Lau
authors.forename: Ravichandar
authors.initials: R
authors.lastname: Babarao
authors.forename: Matthew R
authors.initials: MR
authors.lastname: Hill