TY - JOUR
T1 - Multivariate modulation of Zr6 UiO-66 for enhanced cooperative CO2 adsorption through defect multi-functionalisation
AU - Rosales-Martínez, Carmen
AU - Javan Nikkhah, Sousa
AU - Zanatta, Marcileia
AU - Martínez, Juan Carlos
AU - Vandichel, Matthias
AU - Abánades Lázaro, Isabel
N1 - Publisher Copyright:
© 2025 The Royal Society of Chemistry.
PY - 2025/7/28
Y1 - 2025/7/28
N2 - The multivariate modulation of MOFs allows for the simultaneous introduction of multiple functionalities at defect sites during synthesis, enhancing the MOF porosity. By the thoughtful choice of modulators’ functionalities targeted at CO2 adsorption, the designed dimodulated MOF, UiO-66-NH2/SO3, has a 6.6 mmol g−1 CO2 adsorption at 273 K and 1 bar, a 2.3-fold increase compared to the pristine MOF and a 1.6-fold enhancement compared to the single-modulated MOFs. This enhancement is due to the cooperative effect of functional units, which is supported by Monte Carlo simulations.
AB - The multivariate modulation of MOFs allows for the simultaneous introduction of multiple functionalities at defect sites during synthesis, enhancing the MOF porosity. By the thoughtful choice of modulators’ functionalities targeted at CO2 adsorption, the designed dimodulated MOF, UiO-66-NH2/SO3, has a 6.6 mmol g−1 CO2 adsorption at 273 K and 1 bar, a 2.3-fold increase compared to the pristine MOF and a 1.6-fold enhancement compared to the single-modulated MOFs. This enhancement is due to the cooperative effect of functional units, which is supported by Monte Carlo simulations.
UR - https://www.scopus.com/pages/publications/105008795598
U2 - 10.1039/d5mh00650c
DO - 10.1039/d5mh00650c
M3 - Article
C2 - 40524623
AN - SCOPUS:105008795598
SN - 2051-6347
VL - 12
SP - 5689
EP - 5693
JO - Materials Horizons
JF - Materials Horizons
IS - 15
ER -