Defects in metal-organic frameworks: a compromise between adsorption and stability?

• Published in: arXiv.org
• Main Authors: Thornton, Aaron W, Babarao, Ravichandar, Jain, Aman, Trousselet, Fabien, Coudert, François-Xavier
• Format: Paper Journal Article
• Language: English
• Published: Ithaca Cornell University Library, arXiv.org 26.04.2019
• Subjects: Adsorption; Adsorptivity; Defects; Dependence; Heterogeneity; Metal-organic frameworks; Physics - Materials Science; Structural stability; Zirconium

Defect engineering has arisen as a promising approach to tune and optimise the adsorptive performance of metal-organic frameworks. However, the balance between enhanced adsorption and structural stability remains an open question. Here both CO2 adsorption capacity and mechanical stability are calcul...