Daniil I. Kolokolov

TL;DR: Permeation measurements under a direct-current E-field poling of 500 volts per millimeter showed reversibly controlled switching of the ZIF-8 into polar polymorphs, which was confirmed by x-ray diffraction and ab initio calculations, and a defibrillation of the different lattice motions.

TL;DR: Quasi-elastic neutron scattering measurements combined with molecular dynamics simulations indicate that the global microscopic diffusion mechanism involves a combination of intracage motions and jump sequences between tetrahedral and octahedral cages.

TL;DR: Metal–organic frameworks (MOFs) combine metal oxide clusters and organic linkers in almost infinite manners, and the largest amplitude of breathing is obtained for the empty material, while the benzene rings in MOF-5 were found to be stationary and the softest twisting or torsional modes of benzene were calculated at similar energies.

TL;DR: In this paper, the rotational dynamics of the 1,4-benzene-dicarboxylate (BDC) linkers in the porous cubic UiO-66(Zr) metal-organic framework (MOF) was studied.

TL;DR: Solid-state 2H NMR spectroscopy and neutron diffraction studies reveal that it is the combination of optimal molecular dynamics, pore geometry and size, and favorable binding sites that leads to the exceptional and different methane uptakes in these materials.