the present paper aims to investigate the role of open metal site metal-organic frameworks (mofs) on hydrogen adsorptivity using periodic boundary condition (pbc) density functional theory (dft). hence, mil-47-m (m = v and fe) were selected and one hydrogen molecule adsorptivity was calculated in different orientations on them. four different chemical sites were identified in every cluster sect...

The synthesis of zirconium and hafnium metal–organic frameworks (MOFs) often relies on coordination modulation – the addition of competing monotopic modulators to reaction mixtures – to reproducibly generate highly crystalline material. Typically, large excesses of monocarboxylic acids such as formic, acetic and benzoic acid are applied, but access to diffraction quality single crystals, partic...

Metal-organic frameworks (MOFs) have attracted great attention as a new type of prospective material with various merits and functionalities. MOFs can either act as biomimetic catalysts to mimic enzymatic activities or serve as hosts to encapsulate bio-active species for biomimetic catalysis. However, in comparison with the dramatic development of MOFs in other catalytic fields, MOF-based biomi...

Nanoparticle synthesis within metal-organic frameworks (MOFs) is performed by the adsorption of suitable precursor molecules for the metal component and subsequent decomposition to the composite materials nanoparticles@ MOF. This chapter will review different approaches of loading MOFs with more complex organic molecules and metal-organic precursor molecules. The related reactions inside MOFs a...

Metal-organic frameworks (MOFs) based on Ti-oxo clusters (Ti-MOFs) represent a naturally self-assembled superlattice of TiO2 nanoparticles separated by designable organic linkers as antenna chromophores, epitomizing a promising platform for solar energy conversion. However, despite the vast, diverse, and well-developed Ti-cluster chemistry, only a scarce number of Ti-MOFs have been documented. ...

The wide-ranging properties of metal organic frameworks (MOFs) rely in many cases on the presence of defects within their structures and the disorder that is inevitably associated with such defects. In the present work we review several aspects of defects in MOFs, ranging from simple substitutional defects at metal cation or ligand positions, to correlated defects on a larger length scale and t...

Metal-organic frameworks (MOFs) are a new class of microporous materials that possess framework flexibility, large surface areas, "tailor-made" framework functionalities, and tunable pore sizes. These features empower MOFs superior performances and broader application spectra than those of zeolites and phosphine-based molecular sieves. In parallel with designing new structures and new chemistry...

Metal–organic frameworks (MOFs) are a class of sophisticated crystalline solids with well-defined coordination geometry and porosity. Rich selections of building blocks, long-range ordering in packing, and superior surface areas have promoted MOFs’ applications in gas adsorption, storage, and separation. While most studies utilized inner pores by regulating their interactions with small molecul...

Metal-organic frameworks (MOFs) containing Zr(IV) -based secondary building units (SBUs), as in the UiO-66 series, are receiving widespread research interest due to their enhanced chemical and mechanical stabilities. We report the synthesis and extensive characterisation, as both bulk microcrystalline and single crystal forms, of extended UiO-66 (Zr and Hf) series MOFs containing integral unsat...

Composites incorporating metal nanoparticles (MNPs) within metal-organic frameworks (MOFs) have broad applications in many fields. However, the controlled spatial distribution of the MNPs within MOFs remains a challenge for addressing key issues in catalysis, for example, the efficiency of catalysts due to the limitation of molecular diffusion within MOF channels. Here we report a facile strate...