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We investigate the temperature and magnetic field-dependent electrical and thermal properties of Eu2.2Ga11Sn35, revealing a change in electronic structure and an increase in magnetoresistance with increasing field, as well as the origin of magneto-suppressed thermal conductivity of this unconventional inorganic clathrate-I material with very low cation concentration. [ABSTRACT FROM AUTHOR]

We investigate the temperature and magnetic field-dependent electrical and thermal properties of Eu2.2Ga11Sn35, revealing a change in electronic structure and an increase in magnetoresistance with increasing field, as well as the origin of magneto-suppressed thermal conductivity of this unconventional inorganic clathrate-I material with very low cation concentration. [ABSTRACT FROM AUTHOR]

We elucidate the thermal properties of superionic conductors, which are of intense current interest for solid-state battery applications. The temperature-dependent thermal properties of superionic NaSbS2 were investigated by analyses of appropriate models revealing that a predominant contribution to thermal transport above the Debye temperature is from thermal diffusion. [ABSTRACT FROM AUTHOR]

We report for the first time the synthesis of heterobimetallic block copolymers with a combined main-chain/side-chain topology. The photophysical, electrochemical, and thermal properties and ring-opening metathesis polymerization-induced crystallization-driven self-assembly (ROMPI-CDSA) behavior of these polymers can be significantly modulated by switching the metal identity. [ABSTRACT FROM AUTHOR]

In this work, the polar tetrahedron [PN2O2] was revealed as a new deep-ultraviolet (deep-UV) nonlinear optically active unit. Accordingly, a thermodynamically stable compound (PNO) consisting of the polar [PN2O2] units was predicted and suggested as a promising candidate for deep-UV nonlinear optical (NLO) materials. Compared with other deep-UV materials known to date, PNO possesses the strongest second harmonic generation (SHG) coefficient (about 6 times that of KH2PO4 (KDP)). Moreover, its three-dimensional connectivity endows it with good mechanical and thermal properties. Therefore, PNO should be a new option for non-π-conjugated deep-UV NLO materials. [ABSTRACT FROM AUTHOR]

Herein, we present a strategy to introduce above-room temperature non-centrosymmetry into two-dimensional halide double perovskites (A′4M′M′′X8) using a halogenated A′-site organic linker, 3-chloro/bromo propyl amine. These crystals exhibit anisotropic polarization with three orders of magnitude variation between different crystallographic axes. The non-centrosymmetry is further confirmed by piezo-force microscopy studies and its role in the thermal and optical properties was investigated. [ABSTRACT FROM AUTHOR]

Two-dimensional (2D) quantum materials are poised to transform conventional electronics for a wide spectrum of applications that will encompass chemical sciences. For the study of thermal transport in single-layer (1L) or multi-layer transition metal dichalcogenides (TMDs), this work explores the combination of density functional theory (DFT) and algorithmic training for the generation of a moment tensor potential (MTP) that models 1L-MoS2, 1L-WS2 and their alloys, and demonstrates a synergy of theoretical techniques that is anticipated to play an important role in the field. From a high-performance computing perspective, these yield very convenient inter-atomic (or inter-molecular in other contexts) potentials that are useful to predict the response of quantum materials to thermal perturbations, or other driving forces. We show that our trained MTP functions successfully describe vibrational properties of the systems, and their thermal conductivities. The trained potential displays consistent agreement with DFT calculations, as well as the Stillinger–Weber (SW) potential. We also find that the thermal conductivity of the 2D alloys is little affected by sulfur vacancies. This is a behavior that may aid the fine-tuning of material's thermal properties for heat management and energy storage and conversion applications. [ABSTRACT FROM AUTHOR]

The Pd-catalyzed carbene coupling reaction of N-tosylhydrazones and benzyl bromides has been developed into a polymerization process for the first time, providing an efficient method for the synthesis of poly(arylene vinylene)s (PAVs). This method affords PAVs bearing E-vinylene units predominantly. It can also introduce a CF3 group on each vinylene carbon atom in the polymer main chain. The polymerization has a broad scope and the resultant polymers exhibit interesting optical properties and good thermal stabilities. [ABSTRACT FROM AUTHOR]

Acridine-based 1,2-dioxetane as a thermochemiluminescence (TCL) probe for temperature sensing exhibited an excellent response for temperature in the range of 85–130 °C with favorable sensitivity and good resolution. The proposed TCL probe could be applied to screen thermal conductivity properties of different thermal insulation materials. [ABSTRACT FROM AUTHOR]

Cyanuric triazide (CTA) and benzotrifuroxan (BTF) form a metal-free primary energetic cocrystal with suppressed volatility and improved thermal properties relative to CTA. Though electrostatic potential maps of the most stable conformations do not predict favorable interactions, a higher energy conformer has appropriate electrostatics and is selected by BTF in the cocrystal. [ABSTRACT FROM AUTHOR]

During the last five years, the scientific community has witnessed tremendous progress in solution-processed semiconducting 2D transition metal dichalcogenides (TMDs), in combination with the use of chemical approaches to finely tune their electrical, optical, mechanical and thermal properties. Because of the strong structure–properties relationship, the adopted production methods contribute in affecting the quality and characteristics of the nanomaterials, along with the costs, scalability and yield of the process. Nevertheless, a number of (supra)molecular approaches have been developed to meticulously tailor the properties of TMDs via formation of both covalent and non-covalent bonds, where small molecules, (bio)polymers or nanoparticles interact with the basal plane and/or edges of the 2D nanosheets in a controlled fashion. In this Feature Article, we will highlight the recent advancements in the development of production strategies and molecular approaches for tailoring the properties of solution-processed TMD nanosheets. We will also discuss opportunities and challenges towards the realization of multifunctional devices and sensors based on such novel hybrid nanomaterials. [ABSTRACT FROM AUTHOR]

A series of double-decker silsesquioxane derivatives with four reactive functional groups were designed, efficiently synthesized, and characterized. These novel inorganic–organic hybrids show highly attractive features for applications as building blocks with Si–O–Si rigid cores (good thermal properties) with four reactive moieties, which can be functionalized in further processes. [ABSTRACT FROM AUTHOR]

Binary catalyst systems comprising a cationic Ru–CNC pincer complex and an alkali metal salt were developed for selective hydroboration of CO2 utilizing pinacolborane at r.t. and 1 atm CO2, with the combination of [Ru(CNCBn)(CO)2(H)][PF6] and KOCO2tBu producing formoxyborane in 76% yield. A bicyclic catalytic mechanism was proposed and discussed. [ABSTRACT FROM AUTHOR]

An ab initio quantum-mechanical theoretical framework is presented to compute the thermal properties of molecular crystals. The present strategy combines dispersion-corrected density-functional-theory (DFT-D), harmonic phonon dispersion, quasi-harmonic approximation to the lattice dynamics for thermal expansion and thermodynamic functions, and quasi-static approximation for anisotropic thermo-elasticity. The proposed scheme is shown to reliably describe thermal properties of the urea molecular crystal by a thorough comparison with experimental data. [ABSTRACT FROM AUTHOR]

Nano-sized SAPO-34 zeolites with high crystallinity are obtained in 10 minutes by fast heating the reaction gel in a stainless steel tubular reactor combined with the seed-assisted method, which show outstanding performance in methanol-to-olefin (MTO) reaction. [ABSTRACT FROM AUTHOR]

Reversible luminescence modulation upon photochromic reactions with excellent reproducibility was achieved from Eu3+ doped Bi2.5Na0.5Nb2O9 multifunctional ferroelectrics. The material exhibits strong sensitivity to visible light or sunlight with fast response time without inducing any structural changes. [ABSTRACT FROM AUTHOR]

Metal complexes emitting thermally activated delayed fluorescence based on intra-ligand charge transfer and enhanced by metallization were synthesized. Organic light-emitting diodes using a thermally stable zinc complex processed by vacuum vapor deposition achieved an external quantum efficiency of nearly 20%. [ABSTRACT FROM AUTHOR]

A 2D condensed benzothiophene derivative TBTDBT was synthesized. The thermal, optical and electrochemical properties were investigated. The single crystalline microribbons were grown by solution drop-casting and physical vapor transport methods respectively. The field effect transistors based on TBTDBT microribbons were fabricated and a mobility up to 2.62 cm2 V−1 s−1 and an on–off ratio greater than 105 could be achieved. [ABSTRACT FROM AUTHOR]

A homochiral MOF membrane was successfully and facilely synthesized using an in situ growth method, which had the advantages of cheap raw materials, simple operation and high thermal stability. A diol isomer mixture was used to test the separation efficiency of the membrane at different temperatures and pressures. [ABSTRACT FROM AUTHOR]

The synthetic new-phase VTiO4, as a new solid solution structure of anatase type, brings a large magnetodielectric ratio (Δε/ε0) of 7.2% at 300 K, representing a new simple-oxide structural catalogue exhibiting a room-temperature large magnetic-dielectric effect. [ABSTRACT FROM AUTHOR]

A novel synthetic route is designed, employing both high temperature and a nontoxic organic structure-directing agent (SDA), for the synthesis of high silica zeolite Y. The N-methylpyridinium used as an organic SDA is stable during the synthesis, and the high silica zeolite Y shows high hydrothermal stability and good catalytic performance, as well as excellent adsorptive properties. [ABSTRACT FROM AUTHOR]

The synthetic new-phase VTiO4, as a new solid solution structure of anatase type, brings a large magnetodielectric ratio (Δε/ε0) of 7.2% at 300 K, representing a new simple-oxide structural catalogue exhibiting a room-temperature large magnetic-dielectric effect. [ABSTRACT FROM AUTHOR]

A combined adsorption–discharge plasma process was proposed for DeNOx in simulated flue gas at room temperature. The conversion of NOx to N2 could achieve 95% in the process of NOx storage and reduction with NH3 under simulated flue gas conditions. [ABSTRACT FROM AUTHOR]

The cell surface is made electrochemically active by interfacing with graphene sheets. The electrical and thermal properties of graphene allow the control of cell surface potential for electrochemical synthesis. Using this approach radially projecting ZnO nanorods are templated on the surface of single cells. This reported single cell photosensor has superior performance than similar devices made on planar surfaces. [ABSTRACT FROM AUTHOR]

Organolead trihalide perovskite solar cells based upon the co-deposition of a combined Al2O3–perovskite layer at T ＜ 110 °C are presented. We report an average PCE = 7.2% on a non-sintered Al2O3 scaffold in devices that have been manufactured from a perovskite precursor containing 5 wt% Al2O3 nanoparticles. [ABSTRACT FROM AUTHOR]

A facile strategy was initiated to fabricate large-scale uniform brookite TiO2 nanospindles preferentially grown along the [001] direction, which were highly thermally stable and exhibited superior electrical conductivity, about two orders of magnitude higher than those of anatase and rutile counterparts. [ABSTRACT FROM AUTHOR]

Platinum nanotubes (PtNTs) exhibiting high porosity were constructed by sacrificing the exterior of tellurium nanowires (TeNWs) and disintegrating the inner part spontaneously in aqueous solution at room temperature, in which the Kirkendall effect may play an important role. The present PtNTs exhibited intrinsic peroxidase-like activity in the presence of H2O2. [ABSTRACT FROM AUTHOR]

A non-porphyrinic, mononuclear oxomanganese(iv) complex was generated at room temperature and characterized by spectroscopic methods. The MnIV=O adduct is capable of activating C–H bonds by a H-atom transfer mechanism and is more reactive in this regard than most MnIV=O species. [ABSTRACT FROM AUTHOR]

Thermoelectric figures of merit, ZT ＞ 0.5, have been obtained in arc-melted TiNiSn-based ingots. This promising conversion efficiency is due to a low lattice thermal conductivity, which is attributed to excess nickel in the half-Heusler structure. [ABSTRACT FROM AUTHOR]

Novel liquid disiloxanes, containing an n-propylic spacer group between the disiloxane fragment and a cyclic or non-cyclic carbamate moiety, were synthesized and characterized as liquid electrolytes. The ionic conductivity, thermal properties, viscosity and relative permittivity of these new solvents have been investigated, taking into account steric factors. [ABSTRACT FROM AUTHOR]

An imidazolium-based zwitterion containing two oxyethylene units was obtained as a colorless liquid at room temperature. The equimolar mixture of the liquid zwitterion and lithium bis(trifluoromethylsulfonyl)amide showed an ionic conductivity of over 10−4S cm−1at 80 °C, which was higher than those of mixtures composed of analogous solid zwitterions. [ABSTRACT FROM AUTHOR]

Dynamic surface rearrangement and thermal stability of N-functional groups on carbon nanotubes (CNTs), obtained by functionalization of pristine CNTs with NH3, were studied by temperature-programmed XPS and MS: a link between the stability of the functional group and decomposition temperature have been established and a conversion into graphitic nitrogen was observed. [ABSTRACT FROM AUTHOR]

A supramolecular switch is demonstrated that maintains a stable ON state even in the absence of guest at room temperature. [ABSTRACT FROM AUTHOR]