Themed collection In memory of Petr Nachtigall

Professor RNDr. Petr Nachtigall, PhD passed away on 28 December 2022. He was an internationally recognized expert in computational materials science; working at Charles University in the Department of Physical and Macromolecular Chemistry. We honor his memory.

Guest editors Jiří Čejka, Petr Nachtigall and Gabriele Centi introduce the New catalytic materials for an energy and chemistry transition themed issue of Chemical Society Reviews.

Welcome to this themed issue of Dalton Transactions entitled “Layered Inorganic Solids”.

Themed Issue on characterization of adsorbed species reports on the current state of the art in the field and it discusses the challenges ahead.

An increased synergy between experimental and theoretical investigations in heterogeneous catalysis has become apparent during the last decade.

The ADOR method enables the synthesis of novel zeolitic structures via exploiting structural weakness present in some zeolites.

ADOR, an unconventional synthesis strategy based on a four-step mechanism: assembly, disassembly, organization, and reassembly, has opened new possibilities in zeolite chemistry.

Controlled synthesis conditions and template provide zeolite FER with homogeneous distribution of Al in the framework; a new zeolite adsorbent exhibiting constant heat of CO₂ adsorption.

Detailed analysis shows that the vibrational dynamics of CO adsorbed on zeolites is affected by both, the effect from top and the effect from bottom.

Löwenstein's rule is explained in terms of the level of solvating water inside zeolite pores, along with the formation of Brønsted acidic water clusters derived from framework sites.

Surface engineering induces intrinsic valley polarizations with diverse magnetic structures in 2D MXenes.

Doping isolated one-dimensional antiferromagnetic semiconductor VS₄ nanowires with carriers induces half-metallicity.

Control of spintronic and electronic properties of vanadium carbide i-MXenes via surface functionalization.

Here, we report the in situ formation of two novel metal organic frameworks based on copper and cobalt using tetrazole-5-carboxylate ethyl ester as the ligand synthesized by a hydrothermal route.

Theoretical prediction of efficient catalytic CO oxidation over a Fe–PtSe₂ monolayer.

We report NiCl₃ monolayer as a novel near-room-temperature Chern insulator and Dirac spin-gapless semiconductor, rendering NiCl₃ with great potential for spintronic application.

Magnetic properties of Mn₂CT₂ (T = F, Cl, OH, O, and H) MXenes are reported based on a computational investigation.

The disordered intermediate, IPC-1P, formed from the ADORable zeolite UTL has been structurally confirmed using the pair distribution function (PDF) technique.

Searching for two-dimensional (2D) materials with room-temperature magnetic order and high spin-polarization is essential for the development of next-generation nanospintronic devices.

The Lewis acid strength of Li⁺ sites in Li-exchanged zeolites depends on the diameter of the pores.

Knowledge of the equilibrium crystal shape and structure of the exposed surfaces of nickel phosphide (Ni₂P) nanostructures is essential for understanding and control of their catalytic performance.

Monolayer vanadium trihalides show stable 2D intrinsic ferromagnetism, half-metallicity and Dirac point.

By combining experimental adsorption isotherms, microcalorimetric data, infrared spectroscopy and quantum chemical calculations the adsorption behaviour of the CPO-27/MOF-74 series (Ni, Co, Mg, Cu, and Zn) in the desulfurization of fuels is evaluated.

Δν_OH (see the figure) can be a misleading indicator of zeolite Brønsted acidity, as shown by VTIR spectroscopy and calorimetry.

MOFs appear as highly active and selective catalysts for the Knoevenagel condensation under mild conditions when compared with zeolites.

Combined experimental and theoretical investigation of a Friedländer reaction between 2-aminoarylketones and carbonyl compounds evidenced high performance of CuBTC affording quinolines.

The physical adsorption of molecules (C₂H₂, C₂H₄, C₂H₆, C₆H₆, CH₄, H₂, H₂O, N₂, NH₃, CO, CO₂, Ar) on a graphite substrate has been investigated at the DFT/CC level of theory.

Large differences in isosteric heats of CO₂ on alkaline–metal cation exchanged FER observed experimentally were explained based on DFT/CC calculations that account for the dispersion interaction between CO₂ and zeolite.

An O-down dinitrosyl complex, Cu(N₂O₂-κ²O,O′), formed in Cu-FER is proposed to be a key intermediate in the deNO_x process.

Site-specific Cu⁺ coordination changes and changes in CO stretching vibrations were investigated for Cu-FER zeolite.