Superior Temperature Sensing and Capacitive Energy-Storage Performance in Pb-Free Ceramics.

The ultrafast charge/discharge rate and high power density (P) endow lead-free dielectric energy storage ceramics (LDESCs) with enormous application potential in electric vehicles. However, their low energy storage density and single energy storage performance (ESP) limit their further development and applicability in rugged environments. Here, through the design of vacancy defects and phase structure regulation, Pb-free (BiNa)TiO-based ceramics with an optimal composition can achieve a large maximum polarization (>44 µC cm) under a moderate electric field (410 kV cm), resulting in an extremely high recoverable energy storage density (≈6.

Photoconductivity and Photovoltaic Effect Strengthened via Microstructural Cotuning in Ferroelectrics: Intuitively Assessed by Macroscopic Transparency.

Photoferroelectrics that involve strong light-matter coupling are regarded as promising candidates for realizing bulk photovoltaic and photoelectric effects via light absorption. Nonetheless, understanding the photoresponse mechanism or modulation of performance from a microscopic point of view is scarcely explored through quantification of macroscopic properties. Herein, we design a model material, Gd-doped (KNa)NbO ferroelectric-transparent ceramics, and present an advantageous strategy to enhance the optoelectronic coupling through joint modulations of lattice distortion and oxygen vacancies, along with inner defects and ferroelectric domains.

Giant Capacitive Energy Storage in High-Entropy Lead-Free Ceramics with Temperature Self-Check.

Considering the large demand for electricity in the era of artificial intelligence and big data, there is an urgent need to explore novel energy storage media with higher energy density and intelligent temperature self-check functions. High-entropy (HE) ceramic capacitors are of great significance because of their excellent energy storage efficiency and high power density (P). However, the contradiction between configurational entropy and polarization in traditional HE systems greatly restrains the increase in energy storage density.

Fabrication, optimization, and validation of penicillin-loaded hydrogels for controlled drug delivery.

Bacterial infections present a major global challenge. Penicillin, a widely used antibiotic known for its effectiveness and safety, is frequently prescribed. However, its short half-life necessitates multiple high-dose daily administrations, leading to severe side-effects.

Suppressed Defects by Functional Thermally Cross-Linked Fullerene for High-Efficiency Tin-Lead Perovskite Solar Cells.

Mixed tin-lead (Sn-Pb) perovskites have attracted the attention of the community due to their narrow bandgap, ideal for photovoltaic applications, especially tandem solar cells. However, the oxidation and rapid crystallization of Sn and the interfacial traps hinder their development. Here, cross-linkable [6,6]-phenyl-C-butyric styryl dendron ester (C-PCBSD) is introduced during the quenching step of perovskite thin film processing to suppress the generation of surface defects at the electron transport layer interface and improve the bulk crystallinity.

Multi-scale structural characterization of ceramic-based photonic glasses for structural colors.

Structural colors arise from selective light interaction with (nano)structures, which give them advantages over pigmented colors such as resistance to fading and possibility to be fabricated out of traditional low-cost and non-toxic materials. Since the color arises from the photonic (nano)structures, different structural features can impact their photonic response and thus, their color. Therefore, the detailed characterization of their structural features is crucial for further improvement of structural colors.

Water, Not Salt, Causes Most of the Seebeck Effect of Nonisothermal Aqueous Electrolytes.

A temperature difference between two electrolyte-immersed electrodes often yields a voltage Δψ between them. This electrolyte Seebeck effect is usually explained by cations and anions flowing differently in thermal gradients. However, using molecular simulations, we found almost the same Δψ for cells filled with pure water as with aqueous alkali halides.

Ni-Co Complex Ionic Synergistically Modifying Octahedron Lattice of Cordierite Ceramics for the Application of 5G Microwave-Millimeter-wave Antennas.

In this work, phase-pure Mg(NiCo)AlSiO (0 ≤ ≤ 1) ceramics were synthesized by a high-temperature solid-state method. On the basis of Rietveld refinement data of X-ray powder diffraction and Phillips-Vechten-Levine theory, the atomic ionicity, lattice energy, and bond energy of the compound were calculated to explore their influence on the microwave dielectric properties of ceramics. The MgNiCoAlSiO ( = 0.

Achieving High-Temperature Stable Structural Color through Nanostructuring in Polymer-Derived Ceramics.

Structural colors offer a myriad of advantages over conventional pigment-based colors, which often rely on toxic chemical substances that are prone to UV degradation. To take advantage of these benefits in demanding environments, there is growing interest in producing structural colors from ceramics. Polymer-derived ceramics (PDCs) emerge as a compelling choice, presenting two distinct advantages: their enhanced shape ability in their polymeric state associated with impressive temperature resistance once converted to ceramics.

Facile synthesis of manganese-hafnium nanocomposites for multimodal MRI/CT imaging and in vitro photodynamic therapy of colon cancer.

Precise diagnosis of complex and soft tumors is challenging, which limits appropriate treatment options to achieve desired therapeutic outcomes. However, multifunctional nano-sized contrast enhancement agents based on nanoparticles improve the diagnosis accuracy of various diseases such as cancer. Herein, a facile manganese-hafnium nanocomposites (MnO-HfO NCs) system was designed for bimodal magnetic resonance imaging (MRI)/computed tomography (CT) contrast enhancement with a complimentary function of photodynamic therapy.

When Cortical Bone Matrix Properties Are Indiscernible between Elderly Men with and without Type 2 Diabetes, Fracture Resistance Follows Suit.

Type 2 diabetes mellitus (T2DM) is a metabolic disease affecting bone tissue and leading to increased fracture risk in men and women, independent of bone mineral density (BMD). Thus, bone material quality (i.e.

Mechanical properties of TiO/carboxylic-acid interfaces from first-principles calculations.

Nature forms structurally complex materials with a large variation of mechanical and physical properties from only very few organic compounds and minerals. Nanocomposites made from TiO and carboxylic-acids, two substances that are available to nature as well as materials engineers, can be seen as representative of a huge class of natural and bio-inspired materials. The hybrid interfaces between the two components are thought to determine the overall properties of the composite.

Continuous SiC Skeleton-Reinforced Reaction-Bonded Boron Carbide Composites with High Flexural Strength.

Reaction-bonded boron carbide (RBBC) composites have broad application prospects due to their low cost and net size sintering. The microstructure, reaction mechanism of boron carbide with molten silicon (Si), and mechanical properties have been substantially studied. However, the mechanical properties strengthening mechanism of reaction-bonded boron carbide composites are still pending question.

Oxidation-State Dynamics and Emerging Patterns in Magnetite.

Magnetite is an important mineral with many interesting applications related to its magnetic, electrical, and thermal properties. Typically studied by electronic structure calculations, these methods are unable to capture the complex ion dynamics at relevant temperatures, time, and length scales. We present a hybrid Monte Carlo/molecular dynamics (MC/MD) method based on iron oxidation-state swapping for accurate atomistic modeling of bulk magnetite, magnetite surfaces, and nanoparticles that captures the complex ionic dynamics.

Reconstructing the infrared spectrum of a peptide from representative conformers of the full canonical ensemble.

Leucine enkephalin (LeuEnk), a biologically active endogenous opioid pentapeptide, has been under intense investigation because it is small enough to allow efficient use of sophisticated computational methods and large enough to provide insights into low-lying minima of its conformational space. Here, we reproduce and interpret experimental infrared (IR) spectra of this model peptide in gas phase using a combination of replica-exchange molecular dynamics simulations, machine learning, and ab initio calculations. In particular, we evaluate the possibility of averaging representative structural contributions to obtain an accurate computed spectrum that accounts for the corresponding canonical ensemble of the real experimental situation.

Solvent controlled 2D structures of bottom-up fabricated nanoparticle superlattices.

We demonstrate that oleyl phosphate ligand-stabilized iron oxide nanocubes as building blocks can be assembled into 2D supercrystalline mono- and multilayers on flat YSZ substrates within a few minutes using a simple spin-coating process. As a bottom-up process, the growth takes place in a layer-by-layer mode and therefore by tuning the spin-coating parameters, the exact number of deposited monolayers can be controlled. Furthermore, scanning electron and atomic force microscopy as well as X-ray reflectivity measurements give evidence that the choice of solvent allows the control of the lattice type of the final supercrystalline monolayers.

Influence of water and protein content on the creep behavior in dental enamel.

The creep behavior of untreated and deproteinized dental enamel in dry and wet state was analyzed by nanoindentation with a spherical tip. Additionally, the influence of the loading rate was investigated. Dry untreated and deproteinized dental enamel only showed minor creep over 100 s and deproteinization did not affect the dry enamel's behavior significantly.

Printing Crack-Free Microporous Structures by Combining Additive Manufacturing with Colloidal Assembly.

To date high printing resolution and scalability, i.e., macroscale component dimensions and fast printing, are incompatible characteristics for additive manufacturing (AM) processes.

ELECTRODE: An electrochemistry package for atomistic simulations.

Constant potential methods (CPMs) enable computationally efficient simulations of the solid-liquid interface at conducting electrodes in molecular dynamics. They have been successfully used, for example, to realistically model the behavior of ionic liquids or water-in-salt electrolytes in supercapacitors and batteries. CPMs model conductive electrodes by updating charges of individual electrode atoms according to the applied electric potential and the (time-dependent) local electrolyte structure.

Strengthening Engineered Nanocrystal Three-Dimensional Superlattices via Ligand Conformation and Reactivity.

Nanocrystal assembly into ordered structures provides mesostructural functional materials with a precise control that starts at the atomic scale. However, the lack of understanding on the self-assembly itself plus the poor structural integrity of the resulting supercrystalline materials still limits their application into engineered materials and devices. Surface functionalization of the nanobuilding blocks with organic ligands can be used not only as a means to control the interparticle interactions during self-assembly but also as a reactive platform to further strengthen the final material via ligand cross-linking.

Surface structure of magnetite (111) under oxidizing and reducing conditions.

We report on differences in the magnetite (111) surface structure when prepared under oxidizing and reducing conditions. Both preparations were done under UHV conditions at elevated temperatures, but in one case the sample was cooled down while keeping it in an oxygen atmosphere. Scanning tunneling microscopy after each of the preparations showed a different apparent morphology, which is discussed to be an electronic effect and which is reflected in the necessity of using opposite bias tunneling voltages in order to obtain good images.