Defect-dependent colossal negative thermal expansion in UiO-66(Hf) metal-organic framework

Abstract

Thermally-densified hafnium terephthalate UiO-66(Hf) is shown to exhibit the strongest isotropic negative thermal expansion (NTE) effect yet reported for a metal-organic framework (MOF). Incorporation of correlated vacancy defects within the framework affects both the extent of thermal densification and the magnitude of NTE observed in the densified product. We thus demonstrate that defect inclusion can be used to tune systematically the physical behaviour of a MOF.

arXiv comment8 pages, 4 figures, revised

References in corpus (5)

• Thermal and mechanical stability of zeolitic imidazolate frameworks polymorphs
• Charge-Stripe Ordering From Local Octahedral Tilts: Underdoped and Superconducting La2-xSrxCuO4 (0 < x < 0.30)
• Absence of static phase separation in the high-Tc cuprate $YB{a}_{2}C{u}_3{O}_{6+y}$
• The role of static disorder in negative thermal expansion in ReO3
• Challenges in first-principles NPT molecular dynamics of soft porous crystals: A case study on MIL-53(Ga)

Cited by in corpus (6)

• Computational characterization and prediction of metal-organic framework properties
• Defects in metal-organic frameworks: a compromise between adsorption and stability?
• Design of crystal-like aperiodic solids with selective disorder--phonon coupling
• Heterometallic Metal-Organic Frameworks of MOF-5 and UiO-66 Families: Insight from Computational Chemistry
• Recent advances in the computational chemistry of soft porous crystals
• Compositional nanodomain formation in hybrid formate perovskites