Guest modulating the photoactivity of a titanium-oxide cage.

Two host-guest Ti-oxide clusters, Ti(NH) and TiCs, were synthesized and thoroughly characterized. They possess a rarely seen biloculate structure that encapsulates two NH and Cs guests, respectively. Interestingly, alkali metal cations can exchange places with NH .

A-site cation manipulation of exemplary second harmonic generation response and optical anisotropy in rare-earth borates.

Ultraviolet nonlinear optical (UV NLO) materials have garnered significant interest for their prospective applications in advanced laser technologies. However, tailoring the desired structure in these materials remains a formidable challenge. Here, we propose a simple yet effective strategy for synthesizing rare-earth borates, K Na LaBO ( = 2-3), by manipulating the A-site cations to induce structural evolution.

A photoactivated chiral molecular clamp rotated by selective anion binding.

Developing chiral molecular platforms that respond to external fields provides opportunities for designing smart chiroptical materials. Herein, we introduce a molecular clamp whose chiral properties can be turned on by photoactivation. Selective anion binding achieves rational tuning of the conformations and chiroptical properties of the clamp, including circular dichroism and circularly polarized luminescence.

Growing highly ordered Pt and Mn bimetallic single atomic layers over graphdiyne.

Controlling the precise growth of atoms is necessary to achieve manipulation of atomic composition and atomic position, regulation of electronic structure, and an understanding of reactions at the atomic level. Herein, we report a facile method for ordered anchoring of zero-valent platinum and manganese atoms with single-atom thickness on graphdiyne under mild conditions. Due to strong and incomplete charge transfer between graphdiyne and metal atoms, the formation of metal clusters and nanoparticles can be inhibited.

Effect of deuterium content on the structural, optical, and thermal properties of DKDP crystals: a systematic analysis.

Deuterated potassium dihydrogen phosphate (DKDP) crystals with different deuterium contents have a wide range of applications, such as frequency conversion in high power lasers, electro-optic modulation, and Q-switching crystals for Pockels cells. However, there is a lack of systematic research on the effect of deuterium content on the fundamental structure and properties of these DKDP crystals. To this end, in this study, a series of DKDP crystals with different deuterium contents have been grown using the "point-seed" rapid growth method, and the structure and properties of the crystals have been characterized.

Implantable Zinc Ion Battery and Osteogenesis-Immunoregulation Bifunction of Its Catabolite.

Biocompatible batteries can power implantable electronic devices and have broad applications in medicine. However, the controlled degradation of implantable batteries, the impact of battery catabolites on surrounding tissues, and wireless charging designs are often overlooked. Here, we designed an implantable zinc ion battery (ZIB) using a gelatin/polycaprolactone-based composite gel electrolyte.

A bifunctional primitive strategy induces enhancements of large second harmonic generation and wide UV transmittance in rare-earth borates containing [BO] groups.

Strong second-harmonic generation (SHG) and a short ultraviolet (UV) cutoff edge are two crucial yet often conflicting parameters that must be finely tuned in the exploration of nonlinear optical (NLO) materials. In this study, two new rare earth borate NLO crystals, KBaScBO (KBSBO) and RbSrScBO (RSSBO), were rationally designed through a bifunctional primitive strategy to achieve an optimized balance between favorable SHG efficiency and UV transparency. As anticipated, both KBSBO and RSSBO exhibit a wide UV transparency window below 190 nm.

Pnictogen bonding in imide derivatives for chiral folding and self-assembly.

Pnictogen bonding (PnB) is an attraction interaction that originates from the anisotropic distribution of electron density of pnictogen elements, which however has been rarely found in nitrogen atoms. In this work, for the first time, we unveil the general presence of N-involved PnB in aromatic or aliphatic imide groups and reveal its implications in chiral self-assembly of folding. This long-neglected interaction was consolidated by Cambridge structural database (CSD) searching as well as subsequent computational studies.

Revealing the Na storage behavior of graphite anodes in low-concentration imidazole-based electrolytes.

The thermodynamic instability of Na-intercalated compounds is an important factor limiting the application of graphite anodes in sodium-ion batteries. Although solvent co-intercalation is recognized as a simple and effective strategy, the challenge lies in the lack of durable electrolytes. Herein, we successfully apply low-concentration imidazole-based electrolytes to graphite anodes for sodium-ion batteries.

Colorimetric detection of Hg based on the enhanced oxidase-mimic activity of CuO/Au@Cu(BTC) triggered by Hg.

It is imperative to develop a rapid detection method for Hg due to its harm to human health and the ecological environment. In this research, CuO/Au@Cu(BTC) was synthesized through reducing HAuCl by CuO@Cu(BTC), which was obtained by reducing Cu(BTC) with hydrazine hydrate. The oxidase-mimic activity of CuO/Au@Cu(BTC) can be enhanced by Hg through forming a Au-Hg alloy.

Rigidify styryl-pyridinium dyes to benzo[]coumarin-based bright two-photon fluorescent probes for cellular bioimaging.

Fluorescence imaging of organelles at the cellular level is important for studying biological processes. The development of a highly emissive fluorescent probe that operates under a suitable excitation light source is a key step in high-quality fluorescence imaging. For long-term, high-fidelity fluorescence imaging of mitochondria-related cellular processes using two-photon microscopy and stimulated emission depletion microscopy, we developed a new benzocoumarin-based cationic fluorescent probe (BS-CN) that is far-red emitting, water-soluble, photostable, and very bright in cells.

Crystallization of amorphous anodized TiO nanotube arrays.

Anodized TiO nanotube arrays (TNTAs) prepared by anodization have garnered widespread attention due to their unique structure and properties. In this study, we prepared TNTAs of varying lengths by controlling the anodization time. Among them, the nanotubes anodized for 2 h have an inner diameter of approximately 92 nm and a wall thickness of approximately 12 nm.

Advancements in aqueous zinc-iodine batteries: a review.

Aqueous zinc-iodine batteries stand out as highly promising energy storage systems owing to the abundance of resources and non-combustible nature of water coupled with their high theoretical capacity. Nevertheless, the development of aqueous zinc-iodine batteries has been impeded by persistent challenges associated with iodine cathodes and Zn anodes. Key obstacles include the shuttle effect of polyiodine and the sluggish kinetics of cathodes, dendrite formation, the hydrogen evolution reaction (HER), and the corrosion and passivation of anodes.

All-catecholate-stabilized black titanium-oxo clusters for efficient photothermal conversion.

The controlled synthesis of titanium-oxo clusters (TOCs) completely stabilized by organic dye ligands with high stability and superior light absorption remains a significant challenge. In this study, we report the syntheses of three atomically precise catechol (Cat)-functionalized TOCs, [Ti(Cat)(OEgO)(OEgOH)] (Ti2), [TiO(Cat)(PrO)(PrOH)] (Ti8), and [TiO(OH)(Cat)]·HO·PhMe (Ti16), using a solvent-induced strategy (HOEgOH = ethylene glycol; PrOH = isopropanol; PhMe = toluene). Interestingly, the TiO core of Ti16 is almost entirely enveloped by catechol ligands, making it the first all-catechol-protected high-nuclearity TOC.

Selective chiral dimerization and folding driven by arene-perfluoroarene force.

Oligomerization and folding of chiral compounds afford diversified chiral molecular architectures with interesting chiroptical properties, but their rational and precise control remain poorly understood. In this work, we employed arene-perfluoroarene (AP) interaction to manipulate the folding and dimerization of alanine derivatives bearing pyrene and a perfluoronaphthalene derivative. Based on X-ray crystallography and nuclear magnetic resonance, the compound with a smaller tether and high skeleton rigidity self-assembled into double helical dimers by duplex hydrogen bonding and AP forces in a less polar solvent.

Heat flux concentrators based on nanoscale phononic metastructures.

In recent years, nanoscale heat flux regulation has been at the forefront of research. Nanoscale heat flux concentration is of potential importance in various applications, but no research has been conducted on local heat flux concentration. In this paper, we designed two heat flux concentrators using patterned amorphous and nanomesh structures, respectively.

Supramolecular axial chirality in [N-I-N]-type halogen bonded dimers.

Axial chiral molecules are extensively used as skeletons in ligands for asymmetric catalysis and as building blocks of chiroptical materials. Designing axial chirality at the supramolecular level potentially endows a material with dynamic tunability and adaptivity. In this work, for the first time, we have reported a series of halogen-bonded dimeric complexes with axial chirality that were formed by noncovalent bonds.

New potential energy surface of NaFH (1') system and quantum dynamics studies for the Na + HF (, ) → NaF + H reaction.

A global potential energy surface (PES) for the electronic ground state of the Na + HF reactive system is constructed by three-dimensional cubic spline interpolation of 37 000 points obtained using the multireference configuration interaction method including the Davidson's correction (MRCI + Q) with auc-cc-pV5Z basis set. The endoergicity, well depth and properties of the separated diatomic molecules are in good agreement with experimental estimations. Quantum dynamics calculations have been performed and compared with those of the previous MRCI PES as well as experimental values.

Asymmetric rhodium-catalyzed click cycloaddition to access C-N axially chiral -triazolyl indoles.

The copper-catalyzed azide-alkyne cycloaddition (CuAAC) reaction is regarded as a prime example of "click chemistry", but the asymmetric click cycloaddition of internal alkynes still remains challenging. A new asymmetric Rh-catalyzed click cycloaddition of -alkynylindoles with azides was developed, providing atroposelective access to C-N axially chiral triazolyl indoles, a new type of heterobiaryl, with excellent yields and enantioselectivity. This asymmetric approach is efficient, mild, robust and atom-economic, and features very broad substrate scope with easily available Tol-BINAP ligands.

Band splitting and enhanced charge density wave modulation in Mn-implanted CsVSb.

Kagome metal CsVSb has attracted unprecedented attention due to the charge density wave (CDW), Z topological surface states and unconventional superconductivity. However, how the paramagnetic bulk CsVSb interacts with magnetic doping is rarely explored. Here we report a Mn-doped CsVSb single crystal successfully achieved by ion implantation, which exhibits obvious band splitting and enhanced CDW modulation angle-resolved photoemission spectroscopy (ARPES).

New insights into the mechanism of synergetic photoredox/copper(i)-catalyzed carbocyanation of 1,3-dienes: a DFT study.

This work presents a DFT-based computational study to understand the mechanism, and regio- and enantioselectivities in the synergetic photoredox/copper(i)-catalyzed carbocyanation of 1,3-dienes with alkyl redox-active esters. The calculated results show an unprecedented copper catalytic mechanism, where the reaction follows a catalytic cycle involving Cu-only catalysis, instead of a Cu(i)/Cu(ii)/Cu(iii)/Cu(i) cycle as proposed in the experimental study. Moreover, it is found that the critical step involves the reaction of the cyanocopper(i) species with an allyl cation rather than the cyanocopper(ii) species reacting with an allyl radical as proposed in the experiment, and that the photocatalyst is regenerated single electron transfer from the allyl radical to the oxidized photocatalyst.

Crystal growth and negative thermal expansion properties of a YMoO single crystal.

A bulk-size single crystal of YMoO with 20 × 11 × 8 mm was successfully grown by the top-seed solution growth (TSSG) method. The full-width at half maximum of (100) and (010) crystal faces is 37 and 27 arcsec, respectively. The thermal conductivity coefficients , , , and are determined to be 1.

A highly conductive gel electrolyte with favorable ion transfer channels for long-lived zinc-iodine batteries.

Aqueous rechargeable zinc-iodine batteries (ARZIBs), as a powerful energy alternative, have inherent advantages, such as low cost, good safety and environmental friendliness. Unfortunately, uneven Zn deposition with dendrite growth and undesirable side reactions seriously compromises the safety and stability of ARZIBs. Herein, a novel strategy is demonstrated to fabricate highly conductive iota-carrageenan (IC) gel electrolyte.

Luminescence, energy transfer, colour modulation and up-conversion mechanisms of Yb, Tm and Ho co-doped YMoO.

A series of novel up-conversion luminescent Yb/Ln (Tm, Ho, Tm/Ho)-doped YMoO (YMO) nanocrystals were synthesized using the sol-gel method. The consistent spherical morphology of the nanocrystals with different doping ratios was found to be profiting from the homogenisation and rapid agglomeration of the composition in the gel state and calcining process. The X-ray diffraction (XRD) and field-emission scanning electron microscope images were employed to confirm perfect crystallinity and uniform morphology.