Exploring spin multiplicity in MoS.

The study of native point-defect-induced spin centres and the synergy of their origin and dynamics are key factors for developing the next-generation spintronics and quantum technologies using quasi-2D transition-metal dichalcogenides (TMDCs). With the help of low-temperature electron paramagnetic resonance (EPR) measurements and first-principles calculations within density functional theory (DFT), herein we report for the very first time the presence of high-spin paramagnetic centres Mo and Mo in sulfur-deficient hexagonal molybdenum disulfide (2H-MoS) nanocrystals. This in fact opposes the established notion of spin = 1/2 mediated by Mo centres reported so far.

Ten-Million-Fold Increase in the Electrical Conductivity of a MOF by Doping of Iodine Into MOF Integrated Mixed Matrix Membrane.

The development of electrically conductive membranes is essential for advancing future technologies like electronic devices, supercapacitors, and batteries. Newly synthesized doubly interpenetrated 3D-Cd-MOF (Metal-Organic-Framework) containing angular tetra-carboxylate is found to display very poor electrical conductivity (10 S cm). However, it exhibits an exceptional ability to adsorb I (I@Cd-MOF) which shows increased electrical conductivity of the order of 10 S cm.

Electrical transport properties and ultrafast optical nonlinearity of rGO-metal chalcogenide ensembles.

In recent times, nanomaterials that harvest solar radiation and transform it into other forms of energy are of considerable interest. Herein, the electrical transport properties of reduced graphene oxide (rGO), rGO-zinc selenide (rGO-ZnSe) and rGO-zinc telluride (rGO-ZnTe) thin films have been investigated at 87-473 K under both dark and illumination conditions. A comparative study of photosensitivity () and charge carrier mobility (), calculated using a trap-free space charge limited current model, shows the highest values for 54 wt% ZnSe and 50 wt% ZnTe contents (namely samples C1 and C2, respectively).

The interplay between the solid effect and the cross effect mechanisms in solid state ¹³C DNP at 95 GHz using trityl radicals.

The (13)C solid state Dynamic Nuclear Polarization (DNP) mechanism using trityl radicals (OX63) as polarizers was investigated in the temperature range of 10-60K. The solutions used were 6M (13)C urea in DMSO/H2O (50% v/v) with 15 mM and 30 mM OX63. The measurements were carried out at ∼3.

Molecular probe dynamics reveals suppression of ice-like regions in strongly confined supercooled water.

The structure of the hydrogen bond network is a key element for understanding water's thermodynamic and kinetic anomalies. While ambient water is strongly believed to be a uniform, continuous hydrogen-bonded liquid, there is growing consensus that supercooled water is better described in terms of distinct domains with either a low-density ice-like structure or a high-density disordered one. We evidenced two distinct rotational mobilities of probe molecules in interstitial supercooled water of polycrystalline ice [Banerjee D, et al.

Correlation of the EPR properties of perchlorotriphenylmethyl radicals and their efficiency as DNP polarizers.

Water soluble perchlorinated trityl (PTM) radicals were found to be effective 95 GHz DNP (dynamic nuclear polarization) polarizers in ex situ (dissolution) (13)C DNP (Gabellieri et al., Angew Chem., Int.

Gadolinium tagging for high-precision measurements of 6 nm distances in protein assemblies by EPR.

Double electron-electron resonance (DEER) distance measurements of a protein complex tagged with two Gd(3+) chelates developed for rigid positioning of the metal ion are shown to deliver outstandingly accurate distance measurements in the 6 nm range. The accuracy was assessed by comparison with modeled distance distributions based on the three-dimensional molecular structures of the protein and the tag and further comparison with paramagnetic NMR data. The close agreement between the predicted and experimentally measured distances opens new possibilities for investigating the structure of biomolecular assemblies.

A Dynamic Nuclear Polarization spectrometer at 95 GHz/144 MHz with EPR and NMR excitation and detection capabilities.

A spectrometer specifically designed for systematic studies of the spin dynamics underlying Dynamic Nuclear Polarization (DNP) in solids at low temperatures is described. The spectrometer functions as a fully operational NMR spectrometer (144 MHz) and pulse EPR spectrometer (95 GHz) with a microwave (MW) power of up to 300 mW at the sample position, generating a MW B(1) field as high as 800 KHz. The combined NMR/EPR probe comprises of an open-structure horn-reflector configuration that functions as a low Q EPR cavity and an RF coil that can accommodate a 30-50 μl sample tube.

Fluorite and mixed-metal Kagome-related topologies in metal-organic framework compounds: synthesis, structure, and properties.

Two new three-dimensional metal-organic frameworks (MOFs) [Mn(2)(mu(3)-OH)(H(2)O)(2)(BTC)] x 2 H(2)O, I, and [NaMn(BTC)], II (BTC = 1,2,4-benzenetricarboxylate = trimellitate) were synthesized and their structures determined by single-crystal X-ray diffraction (XRD). In I, the Mn(4) cluster, [Mn(4)(mu(3)-OH)(2)(H(2)O)(4)O(12)], is connected with eight trimellitate anions and each trimellitate anion connects to four different Mn(4) clusters, resulting in a fluorite-like structure. In II, the Mn(2)O(8) dimer is connected with two Na(+) ions through carboxylate oxygen to form mixed-metal distorted Kagome-related two-dimensional -M-O-M- layers, which are pillared by the trimellitate anions forming the three-dimensional structure.