Themed collection Nordic Collection

Metal–organic frameworks with tailored pore sizes, structures and surface chemistry are promising sorbents for CO₂ capture from low concentration CO₂ sources.

The inorganic platinum complexes currently in clinical use for cancer treatment have severe side effects, and complexes with fewer side effects are required. Here we discuss recently developed theoretical methods that can help in the search for new anti-cancer drugs.

Imine hydrogenations with parahydrogen mediated by a metal-free ansa-aminoborane catalyst (QCAT) lead to nuclear spin hyperpolarization of amine products and catalytic intermediates. These observations provide mechanistic insights into the reaction.

One-pot co-precipitation of target molecules e.g. organic dyes and the synthesis of a crystal containing microporous–mesoporous regimes of zeolitic imidazolate frameworks-8 (ZIF-8) are reported.

Co-precipitation of Ni_0.8Co_0.1Mn_0.1(OH)₂ (NCM811) and Mg-doped (0.25 wt% and 0.5 wt%) NCM811 precursors is carried out from concentrated metal sulphate solutions.

Crystallites of the W-type hexaferrites, Sr(Ni_1−xZn_x)₂Fe₁₆O₂₇ (x = 0, 0.5, 1) have been aligned through a simple synthesis process taking advantage of easy alignment of non-magnetic interacting, anisotropic-shaped precursor crystallites of goethite.

Mixed conducting perovskite BGLC82 undergoes an order–disorder transition upon hydration. Crystalline phases in BGLC have been identified and quantified with respect to volume percent and cation occupancy vs. La fraction.

Ex-situ and in-situ x-ray absorption near edge spectroscopy (XANES) and ex-situ extended x-ray absorption fine structure (EXAFS) studies of CuI and CuO thin films with laboratory-scale X-ray absorption spectrometer in fluorescence mode.

A bio-based adsorbent material with enhanced selectivity towards late transition metals was constructed via grafting a poly-amino ligand on a nano cellulose matrix.

Aqueous solutions of tetra(n-alkyl)ammonium hydroxides, [N_nnnn][OH] with n = 2: n-ethyl, 3: n-propyl, 4: n-butyl are effective in direct air carbon capture (DAC) with high CO₂/[N_nnnn][OH] ratio.

A methodology for characterisation of γ-MnO₂ intergrowths has been developed. By combining supercell modelling, structure-mining and machine learning, both qualitative and quantitative information on intergrowth domain distributions are extracted.

X-ray diffraction is used to investigate regeneration of an H-ZSM-5 zeolite catalyst used in the conversion of methanol to hydrocarbons.

The rate capability and cyclability of high mass loading metallic bismuth anodes are studied in full-cell sodium-ion batteries, using Prussian white cathodes.

Yb(III) complexes were synthesised from ligands with a 1,4,7-triazacyclononane (tacn) macrocyclic core. Tacn-based compounds equipped with 2 picolinate arms were more emissive than their tricarboxamide-cyclen analogues carrying the same antenna.

Quantum chemical methods have been used to study systematically all relevant combinations of cation ordering and tilting in A-site ordered AA′B₂O₆ double perovskites.

Urea-based MOF synthesised in the presence of sulphate anion yielded a versatile catalyst, but MOFs derived from other anions were catalytically inactive, indicating that sulphate anion act as a reaction template to generate catalytically active MOFs.

Boron carbide in its rhombohedral form (r-B₄C) is grown epitaxially by chemical vapor deposition on 4H-SiC.

Counter ions can be used to tune the solid state structure of Eu·DOTA between the cSAP and cTSAP form, but the electronic properties does not match the observations seen in solution.

[NH(CH₃)₃][CB₉H₁₀] and the solid solution [NH(CH₃)₃][(CB₈H₉)_0.26(CB₉H₁₀)_0.66(CB₁₁H₁₂)_0.08] exhibit polymorphism as a function of temperature. The weakly coordinating carboranes may play an important role as electrolytes for all-solid-state-batteries.

Light-induced hole injection from a NiO-bound molecular dye provides electrons that are channeled through gold nanoparticles to molecular catalysts for hydrogen evolution.

Thermochemical data were calculated for 116 boron compounds using high-level composite methods. The results allow the extension of Benson's group additivity approach to organoboron compounds.

The vapor phase isomerization of cyclohexanone oxime and methanol-to-hydrocarbons model reactions were utilized to pinpoint the pore topology and topological location of Fe³⁺ isomorphously substituted into the mesopores of a hierarchical SAPO-11.

We describe six new atomic layer deposition processes for PbCl₂ and PbBr₂. Two processes deliver high quality uniform and conformal PbCl₂ and PbBr₂ thin films fit for semiconductor devices.

Controlling the nanoparticle morphology enables multimetallic nanorattles to achieve an increase of 152-fold in the peroxidase-like activity relative to Au nanoparticles.

Removal of H₂O from BG significantly improves the cycling stability. The least hydrated electrode has the fastest D_Na⁺ of 7.30 × 10⁻¹² cm² s⁻¹ and capacity of ∼60 mA h g⁻¹, compared to 2.92 × 10⁻¹² cm² s⁻¹ and ∼40 mA h g⁻¹ for the more hydrated one.

Novel atomic/molecular layer (ALD/MLD) deposition process for alucone and zincone thin films based on non-pyrophoric precursors are reported.

By taking inspiration from the long-used metallodrug bismuth subgallate, two new coordination networks were developed. Structure determination by electron crystallography revealed a highly flexible MOF and a catalytically active layered material.

A series of neutral LM and L′M compounds including a main group 13/14 or first-row transition metal complexes and their reactivity towards ammonia were studied computationally by density functional theory (DFT).

Variations in the crystal structure and bond lengths of three anatase TiO₂ samples with average crystallite sizes of 6 nm, 19 nm and several hundred nm, respectively, are due to hydroxyl defects rather than nanosize effects.

An organotina compund based on phosphonyl-dithioformate inhibits cancer cell proliferation and induces programmed cell death depending on cell type and shows greater selectivity and potency than cisplatin, affecting DNA in a different way.

The work studies influence of yttrium on the crystal structure, hydrogenation properties and electrochemical behaviors of the PuNi₃-type La_2−xY_xMgNi₉ (x = 0.25 – 1.00) intermetallic alloys used as anodes of the Ni–MH batteries.

The formation of the series of [RuCl₂(CO)₂(ERR′)₂] (E = S, Se, Te; R, R′ = Me, Ph) complexes from [RuCl₂(CO)₃]₂ and ERR′ have been investigated experimentally in THF and CH₂Cl₂, and computationally by PBE0-D3/def2-TZVP calculations.

Reliable computation of solution free energy for reactions relevant in metallocene catalyst activation requires specific consideration of solvent interactions and separate study of vibrational, rotational and translational contributions to entropy.

Novel precursors enable the low-temperature ALD of metallic nickel thin films.

The effects of concentration, acidity, salinity and temperature on the composition and structure of Keggin POM peptide complexes have been investigated.

The solubility of Ca(OH)₂(cr), β-Ni(OH)₂(cr), Nd(OH)₃(s) and PuO₂(ncr, hyd) was investigated in cement porewater solutions containing glutarate, α-hydroxyisobutarate and 3-hydroxybutarate as proxy ligands for the degradation of polyacrilonitrile.

A robust ruthenium-catalyzed methodology converts lignin diols into hydroxyketones under mild conditions.