Anisotropic node distortions in amorphous MOFs: Low-valent Zr sites as catalytic hotspots

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Cyclopropanes have emerged as powerful C3 building blocks in organic synthesis. Cyclopropanes serve as precursors to generate reactive intermediates in various total syntheses of natural products and bioactive molecules. Several strategies have been develo ...

Pt(II)-based molecular catalysts stand as a prototypical system in hydrogen evolution reactions (HER) owing to their consistently elevated activity levels. Their integration into heterogeneous systems thus provides an ideal platform to develop catalytic ma ...

Herein, novel carbons that, owing to a high density of micropores (up to 79%) and N-content (up to 14.9%), offering exciting potential for post-combustion CO2 capture are reported. Given that little is known about how starting materials impact the structur ...

Metal-organic frameworks (MOFs) host intrinsically porous structure and rich structural and chemical features. Several MOFs with pore aperture comparable to the size of gas molecules have attracted interest to form the selective layer of membranes. Synthes ...

Modulating the electronic structure of atomically dispersed active sites is promising to boost catalytic activity but is challenging to achieve. Here we show a cooperative Ni single-atom-on-nanoparticle catalyst (NiSA/NP) prepared via direct solid-state py ...

Pyrene is one of the most widely investigated aromatic hydrocarbons given to its unique optical and electronic properties. Hence, pyrene-based ligands have been attractive for the synthesis of metal–organic frameworks (MOFs) in the last few years. In this ...

Biofuels are considered as viable, sustainable and renewable alternatives to fossil fuels. One amongst them is biomethane which has emerged as one of the valuable contributors in facilitating the essential transition towards green energy sources. Industria ...

The thermal spin crossover (SCO) phenomenon refers to an entropy-driven spin transition in some materials based on d(6)-d(9) transition metal complexes. While its molecular origin is well known, intricate SCO behaviours are increasingly common, in which th ...

Metal‐organic frameworks (MOFs) are highly versatile materials owing to their vast structural and chemical tunability. These hybrid inorganic–organic crystalline materials offer an ideal platform to incorporate light‐harvesting and catalytic centers and th ...

In this account, we demonstrate how statistical learning approaches can be leveraged across a range of different quantum chemical areas to transform the scaling, nature, and complexity of the problems that we are tackling. Selected examples illustrate the ...

Anisotropic node distortions in amorphous MOFs: Low-valent Zr sites as catalytic hotspots

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