The variety of functionalities and porous structures inherent to metal-organic frameworks
(MOFs) together with the facile tunability of their properties makes these materials suitable …

The present review is concerned with quantum mechanical electronic structure calculations
on metal− organic frameworks (MOFs) to elucidate their properties and functionalities. There …

The development of synthetic methodologies towards enhanced performance in biomass
conversion is desirable due to the growing energy demand. Here we design two types of Ru …

The development of highly exposed active sites and highly active inexpensive
electrocatalysts is important and challengeable for electrocatalytic hydrogen evolution …

A series of defect-engineered metal–organic frameworks (DEMOFs) derived from parent
microporous MOFs was obtained by systematic doping with defective linkers during …

Metal–organic frameworks (MOFs) are a class of porous crystalline materials showing great
potential for applications such as catalysis, gas storage, molecular separations, energy …

A mixed‐linker solid‐solution approach was employed to modify the metal sites and
introduce structural defects into the mixed‐valence RuII/III structural analogue of the well …

Here, in an effort to prepare Ru-based metal organic frameworks, we developed a one-step
solvothermal synthesis for Ru nanoassembly catalysts, which consist of˜ 4 nm Ru …

We have extended the Universal Force Field for Metal–Organic Frameworks (UFF4MOF) to
cover all moieties present in the most extensive framework library to date, ie, the …

Electrocatalytic reduction of water via hydrogen evolution reaction (HER) is considered one
of the most ideal avenues to produce high-purity hydrogen (H2) in large quantities, which …