Rational Design and Precise Synthesis of Single-Atom Alloy Catalysts for the Selective Hydrogenation of Nitroarenes.

Single-atom alloys (SAAs) have gained increasing prominence in the field of selective hydrogenation reactions due to their uniform distribution of active sites and the unique host-guest metal interactions. Herein, 15 SAAs are constructed to comprehensively elucidate the relationship between host-guest metal interaction and catalytic performance in the selective hydrogenation of 4-nitrostyrene (4-NS) by density functional theory (DFT) calculations. The results demonstrate that the SAAs with strong host-guest metal interactions exhibit a preference for N─O bond cleavage, and the reaction energy barrier of the hydrogenation process is primarily influenced by the host metal.

Pathology steered stratification network for subtype identification in Alzheimer's disease.

Background: Alzheimer's disease (AD) is a heterogeneous, multifactorial neurodegenerative disorder characterized by three neurobiological factors beta-amyloid, pathologic tau, and neurodegeneration. There are no effective treatments for AD at a late stage, urging for early detection and prevention. However, existing statistical inference approaches in neuroimaging studies of AD subtype identification do not take into account the pathological domain knowledge, which could lead to ill-posed results that are sometimes inconsistent with the essential neurological principles.

Metal-Acid Interface Engineering in Pd-WO Bifunctional Catalysts for the Hydroalkylation Tandem Reaction of Benzene.

The hydroalkylation tandem reaction of benzene to cyclohexylbenzene (CHB) provides an atom economy route for conversion and utilization of benzene; yet, it presents significant challenges in activity and selectivity control. In this work, we report a metal-support synergistic catalyst prepared calcination of W-precursor-containing montmorillonite (MMT) followed by Pd loading (denoted as Pd-WO/MMT, = 5, 15, and 25 wt %), which shows excellent catalytic performance for hydroalkylation of benzene. A combination study (X-ray diffraction (XRD), hydrogen-temperature programmed reduction (H-TPR), transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS), UV-vis, Raman, and density functional theory (DFT) calculations) confirms the formation of interfacial sites Pd-(WO)-H, whose concentration is dependent on the interaction between Pd and WO.

Graph Clustering Analyses of Discontinuous Molecular Dynamics Simulations: Study of Lysozyme Adsorption on a Graphene Surface.

Understanding the interfacial behaviors of biomolecules is crucial to applications in biomaterials and nanoparticle-based biosensing technologies. In this work, we utilized autoencoder-based graph clustering to analyze discontinuous molecular dynamics (DMD) simulations of lysozyme adsorption on a graphene surface. Our high-throughput DMD simulations integrated with a Go̅-like protein-surface interaction model makes it possible to explore protein adsorption at a large temporal scale with sufficient accuracy.

Enriched-Bromine Surface State for Stable Sky-Blue Spectrum Perovskite QLEDs With an EQE of 14.6.

Halogen vacancies are of great concern in blue-emitting perovskite quantum-dot light-emitting diodes because they affect their efficiency and spectral shift. Here, an enriched-bromine surface state is realized using a facile strategy that employs a PbBr stock solution for anion exchange based on Cd-doped perovskite quantum dots. It is found that the doped Cd ions are expected to reduce the formation energy of halogen vacancies filled by the external bromine ions, and the excess free bromine ions in solution are enriched in the surface by anchoring with halogen vacancies as sites, accompanied with the shedding of surface long-chain ligands during the anion exchange process, resulting in a Br-rich and "neat" surface.

Flexible Hydrophobic CFP@PDA@AuNPs Stripes for Highly Sensitive SERS Detection of Methylene Blue Residue.

Considering the inherent hydrophilic and porous nature of paper, the rapid absorption and diffusion of aqueous analyte solutions on paper-based SERS substrates may severely affect the Raman detection sensitivity and accuracy in the detection of target molecules. In this work, a series of hydrophobic CFP@PDA@AuNPs stripes were obtained through in situ synthesizing of gold nanoparticles (AuNPs) on a polydopamine (PDA)-decorated cellulose filter paper (CFP) and functionalized with perfluorodecanethiol (PFDT). When the SERS performance of the substrates was examined using 4-ATP, the hydrophobic CFP@PDA@AuNPs substrate showed superior sensitivity, reproducibility and stability due to the hydrophobic enrichment effect, with the detection limit decreasing to 10 M and the enhancement factor as high as 2.

Metal-Acid Bifunctional Catalysts toward Tandem Reaction: One-Step Hydroalkylation of Benzene to Cyclohexylbenzene.

The one-step hydroalkylation of benzene to cyclohexylbenzene (CHB) is a technically challenging and economically interesting reaction with great industrial importance, where bifunctional catalysts play a crucial role in such a tandem reaction. In this work, we report HPWO (HPW) modified Ni nanoparticles (NPs) supported on mixed metal oxides (Ni/MMOs), which are featured by HPW species localized on the surface of Ni NPs (denoted as HPW-Ni/MMOs). The optimal catalyst (0.

A sliver deposition signal-enhanced optical biomolecular detection device based on reduced graphene oxide.

The development of high-sensitive biomolecular detection system is of great significance for diseases early diagnosis. The novel optical sensor based on the polarization-sensitive absorption of graphene has a great potential in biological detection. However, the detection sensitivity of the device can hardly meet the needs of clinical analysis currently.

Highly crystallized glass-ceramics from high content gold tailings a one-step direct cooling method.

Highly crystalline glass-ceramics were successfully manufactured a one-step direct cooling method using Shuangqishan (Fujian, China) gold tailings as raw materials. A series of glass-ceramics were prepared by controlling the gold tailings addition and post-treatment. X-ray diffraction results show that the crystalline phase of glass-ceramics samples with high tailing addition content (65-80 wt%) is akermanite phase (CaMgSiO).

Tuning the Thermal Transport of Hexagonal Boron Nitride/Reduced Graphene Oxide Heterostructures.

Tuning the thermal properties of materials is considered to be of crucial significance for improving the performance of electronic devices. Along these lines, the development of van der Waals (vdW) heterostructures becomes an effective solution to affect the thermal transport mechanisms. However, vdW interactions usually block phonon transport, which leads to a reduction in thermal conductivity.

Photothermal-Transport Imaging and Thermal Management of 2D Materials.

Thermal management plays an important role in miniaturized and integrated nanoelectronic devices, where finding ways to enable efficient heat-dissipation can be critical. 2D materials, especially graphene and hexagonal boron nitride (h-BN), are generally regarded as ideal materials for thermal management due to their high inherent thermal conductivity. In this paper, a new method is reported, which can be used to characterize thermal transport in 2D materials.

MoO-Decorated Co-Based Catalysts toward the Hydrodeoxygenation Reaction of Biomass-Derived Platform Molecules.

Catalytic conversion of a biomass derivative (levulinic acid, LA) to a high value-added product (γ-valerolactone, GVL) has attracted much attention, in which the control of catalytic selectivity plays an important role. Herein, a stepwise method was developed to prepare Co-MoO catalysts topological transformation (calcination reduction) from layered double hydroxide (Mo/CoAl-LDH) precursors. X-ray diffraction, high-resolution transmission electron microscopy, and hydrogen temperature-programmed reduction demonstrate the formation of MoO-decorated Co structures of Co-MoO samples.

Dimensional Gradient Structure of CoSe@CNTs-MXene Anode Assisted by Ether for High-Capacity, Stable Sodium Storage.

Recently, abundant resources, low-cost sodium-ion batteries are deemed to the new-generation battery in the field of large-scale energy storage. Nevertheless, poor active reaction dynamics, dissolution of intermediates and electrolyte matching problems are significant challenges that need to be solved. Herein, dimensional gradient structure of sheet-tube-dots is constructed with CoSe@CNTs-MXene.

Interface Engineering of a Sandwich Flexible Electrode PAn@CoHCF Rooted in Carbon Cloth for Enhanced Sodium-Ion Storage.

With the growth of demand for flexible devices, the development of flexible electrodes used in energy storage devices has attracted much attention of researchers. In this work, a thin flexible cathode of Prussian blue analogue@polyaniline rooted in carbon cloth has been fabricated. The Prussian blue analogue (PBA) is an electrochemically active material grafted on flexible carbon cloth substrates, which had been precoated with polyaniline.

Suppressing ion migration of CsPbBrInanocrystals by Nickel doping and the application in high-efficiency WLEDs.

All inorganic perovskite nanocrystals CsPbX(X = Cl, Br, I) are the great potential candidates for the application of high-performance light emitting diodes (LED) due to their high Photoluminescence Quantum Yield (PLQY), high defect tolerance, narrow full-width half-maximum and tunable wavelength of 410-700 nm. However, the application of red-emitting (630-650 nm) CsPbBrInanocrystals are perplexed by phase segregation due to the composition of mixed halides and the difference in halide ion mobility. Herein, we provide an effective strategy to suppressing the migration of Br/I ions through Nidoping via a facile Hot-Injection method and the PLQY was improved as well.

A Ni-doping-induced phase transition and electron evolution in cobalt hexacyanoferrate as a stable cathode for sodium-ion batteries.

Prussian blue analogues are potential competitive energy storage materials due to their diverse metal combinations and wide three-dimensional ion channels. Here, we prepared a new highly crystalline monoclinic nickel-doped cobalt hexacyanoferrate via a feasible and simple one-step co-precipitation method. In the process of sodium-ion de-intercalation, three stable charge and discharge platforms, which are consistent with the cyclic voltammetry performance, are seen for the first time, showing the function of nickel ions in Prussian blue.

Direct deposition of Sn-doped CsPbBr perovskite for efficient solar cell application.

All inorganic carbon-based planar perovskites, particularly CsPbBr, have attracted considerable attention due to their excellent stability against oxygen, moisture, and heat for photovoltaic utilization. However, the power conversion efficiency of carbon-based planar CsPbBr perovskite solar cells is mostly low, primarily because of the inferior film quality with undesirable crystallization and narrow light absorbance ranges. Herein, we develop a novel direct deposition approach combined with Sn doping to achieve highly efficient and stable carbon-based Sn-doped CsPbBr perovskite solar cells.

Highly efficient and blue-emitting CsPbBr quantum dots synthesized by two-step supersaturated recrystallization.

Highly efficient and blue-emitting CsPbBr quantum dots were successfully synthesized by two-step supersaturated recrystallization under ambient condition. This method could control the particle size within 2.8 nm, thus resulting in strong quantum confinement effect of the products.

Synthesis of Eco-Friendly High PL Lifespan Manganese-Doped CuInZnS/ZnS QDs for White LED Applications.

Environmentally friendly and long PL lifespan Mn-doped CuInZnS (Mn:CIZS) and CuInZnS/ZnS (Mn:CIZS/ZnS) QDs, with respective red and yellow emissions, were synthesized using nontoxic precursors via a facile dual-step process based on the one-pot method. The resulting Mn:CIZS and Mn:CIZS/ZnS QDs exhibited confirmed strong red and yellow photoluminescence emissions at approximately 654 nm and 580 nm, respectively. The measured PL decay lifespan for the Mn: CIZS QDs is 2.

Carbon electrode engineering for high efficiency all-inorganic perovskite solar cells.

Carbon-based inorganic perovskite solar cells (PSCs) have demonstrated an excellent performance in the field of photovoltaics owing to their simple fabrication techniques, low-cost and superior stability. Despite the lower efficiency of devices with a carbon electrode compared with the conventional structure, the potential applications in large scale have attracted increasing attention. Herein, we employ a mixed carbon electrode inorganic PSC by incorporating one-dimensional structure carbon nanotubes (CNTs) and two-dimensional TiC-MXene nanosheets into a commercial carbon paste.

All-Inorganic Perovskite Nanocrystals with a Stellar Set of Stabilities and Their Use in White Light-Emitting Diodes.

We report a simple, robust, and inexpensive strategy to enable all-inorganic CsPbX perovskite nanocrystals (NCs) with a set of markedly improved stabilities, that is, water stability, compositional stability, phase stability, and phase segregation stability via impregnating them in solid organic salt matrices (i.e., metal stearate; MSt).

Reduced Graphene Oxide-Anchored Manganese Hexacyanoferrate with Low Interstitial HO for Superior Sodium-Ion Batteries.

Low-cost manganese hexacyanoferrate (NMHCF) possesses many favorable advantages including high theoretical capacity, ease of preparation, and robust open channels that enable faster Na diffusion kinetics. However, high lattice water and low electronic conductivity are the main bottlenecks to their pragmatic realization. Here, we present a strategy by anchoring NMHCF on reduced graphene oxide (RGO) to alleviate these problems, featuring a specific discharge capacity of 161/121 mA h g at a current density of 20/200 mA g.

Dual-Phase CsPbBr -CsPb Br Perovskite Thin Films via Vapor Deposition for High-Performance Rigid and Flexible Photodetectors.

Inorganic perovskites with special semiconducting properties and structures have attracted great attention and are regarded as next generation candidates for optoelectronic devices. Herein, using a physical vapor deposition process with a controlled excess of PbBr , dual-phase all-inorganic perovskite composite CsPbBr -CsPb Br thin films are prepared as light-harvesting layers and incorporated in a photodetector (PD). The PD has a high responsivity and detectivity of 0.