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As a highly effective nucleating agent, layered zinc phenylphosphonate (PPZn) is incorporated into polylactic acid (PLA) to investigate the epitaxial crystallization of PLA on PPZn in this study. The corresponding lattice spacing change, crystalline morphology, and crystalline structure are emphasized to reveal the epitaxial crystallization mechanism. As a result, with the increase of PPZn content and the annealing time, the increasing lattice spacing of PPZn and the formation of mutually perpendicular rodlike crystals are observed through x‐ray diffraction (XRD) and polarized optical micrograph (POM) measurements, implying that the interlayer spacing of PPZn crystals is expanded as the PLA α‐form crystals epitaxially grow on its surface, that is, epitaxial crystallization. To be specific, "edge on" lamellae epitaxial grow on the PPZn crystals along the [010] and [100] directions under two excellent lattice matchings, which possess acceptable mismatching of 0.347% and 7.5%, respectively. With the support of the epitaxial crystallization mechanism, the occurrence of the filamentous structure observed in the fracture morphology of PLA/PPZn composites suggests strong interfacial adhesion between PLA and PPZn, which makes the impact toughness of the PLA/PPZn composites increase by 53.6% compared with pure PLA. [ABSTRACT FROM AUTHOR]

ScAlMgO4 (SAM) has attracted considerable attention as a substrate for growing InGaN template layers owing to its lattice matching with In0.17Ga0.83N. Furthermore, radio‐frequency plasma‐assisted molecular beam epitaxy (RF‐MBE) can be utilized to grow (In)GaN directly on SAM substrates because the growth is conducted at relatively low temperatures without reactive gases. This prevents the diffusion and desorption of the constituent elements of the SAM substrate. In this study, the substrate‐temperature dependence of the direct growth of InGaN on SAM substrates is investigated through RF‐MBE. In droplets are formed below 600 °C, whereas, the In content of the InGaN crystal decreases rapidly, and the surface roughness increases at ≈650 °C. These results are attributed to the acceleration of In desorption at higher temperatures. The improvement in crystal coherency moderates above 600 °C. Therefore, a nearly lattice‐matched In0.18Ga0.82N film is grown at an optimal temperature of 600 °C by adjusting the group‐III metal fluxes. The resulting film is continuous and relatively flat, with no droplets. The dislocation density with screw component is one order of magnitude lower than that of the lattice‐mismatched InGaN. The dislocation density of the InGaN film is comparable to that of a film grown by metal‐organic vapor‐phase epitaxy. [ABSTRACT FROM AUTHOR]

Highlights For traditional materials, a polymer composite with high performance and large‐scale production is still the goal pursued by researchers. In our work, polyamide 6/calcium sulfate whiskers (PA6/SCW) composites were fabricated via melt‐compouding method. The calcium sulfate whisker based on gypsum mineral was used as reinforcement. After grafting silane coupling agent on the whisker surface, the whiskers showed a significant reinforcing effect in polyamide. The mechanics and tribology performance of the samples had been significantly inhanced. Based on the nucleation mechanism of lattice matching, calcium sulfate whiskers have obvious heterogeneous nucleation effect in PA6 matrix, while the crystallization period was slightly prolonged. This was caused by the network structure formed by the whiskers in the matrix, which impeded the free movement of polymer chain segments. In combination with the orientation degree of the molecular chains measured by the interdigital electrode, the reinforcing effect of the oriented PA6 specimens was derived from the orientation arrangement of the whiskers and the efficient load transfer. Mechanical and tribological properties of composite were significantly improved. The composite could achieved large‐scale production due to simple preparation. The whiskers had obvious heterogeneous nucleation effect in matrix. The reinforcing effect was derived from efficient load transfer from whiskers. [ABSTRACT FROM AUTHOR]

Fabricating highly oriented 2D nanosheet arrays is crucial for boosting their performance in electronics, catalysis, optics, and energy conversion, while it remains a challenge due to the high surface energy often leads to random aggregation or interlaced structure. In this study, it is found that the exposed facet of Fe2O3 can greatly influence the interface growth arrangement of bimetallic hydroxide (NiCo(OH)2) nanosheets. The NiCo(OH)2 nanosheets tend to parallel‐standing on the cubic and spindle Fe2O3 while random‐ and interlaced‐standing on the Fe2O3 hexagonal nanoplates and microspheres. The theoretical simulation further indicates the orientation of deposited hydroxide sheets is decided explicitly by the interfacial lattice match/mismatch. Compared to the common interlaced structure of nanosheets, the parallel‐standing nanosheet arrays reduce grain boundaries and improve the charge transfer efficiency. As a result, the derived NiCoP cages exhibit a promising oxygen evolution reaction performance with an overpotential of 255 mV at 10 mA cm−2, and the maximum current density of 400 mA cm−2 with the overpotential of 319 mV. [ABSTRACT FROM AUTHOR]

A method is proposed for choosing unit cells for a group of crystals so that they all appear as nearly similar as possible to a selected cell. Related unit cells with varying cell parameters or indexed with different lattice centering can be accommodated.

The rutile SnO2 monolayer dispersion capacity on the rutile TiO2 (r-TiO2) was obviously higher than that on the anatase TiO2 (a-TiO2) via the qualification of the X-ray diffraction extrapolation method, presenting a like-disperses-like rule. Combined hydrogen temperature-programmed reduction and X-ray photoelectron spectroscopy results revealed that stronger interaction occurred between the supported SnO2 and the r-TiO2 than and the a-TiO2, thus resulting in higher SnO2 dispersion on the r-TiO2. The SnO2/r-TiO2 catalysts exhibited higher CO activity than the SnO2/a-TiO2 catalysts with the same SnO2 loadings, verified that the supported SnO2 and the support sharing a crystalline phase is favorable to achieve the more active dispersed component. The CeO2 monolayer dispersion capacities on cubic c-ZrO2 and monoclinic m-ZrO2 supports further confirmed the universality of the like-disperses-like rule for oxide–oxide systems independent on preparation methods. By comparing a series of oxide–oxide systems, the like-disperses-like rule involved not only the crystalline phase and lattice matching, but also M–O bond characteristics of two oxides. [ABSTRACT FROM AUTHOR]

Rare earth (RE)-doped CaS phosphors have been widely used as light-emitting components in various fields. Nevertheless, the application of nanosized CaS particles is still significantly limited by their poor water resistance and weak luminescence. Herein, a lattice-matching strategy is developed by growing an inert shell of cubic NaYF4 phase on the CaS luminescent core. Due to their similarity in crystal structure, a uniform core–shell heterostructure (CaS:Ce3+@NaYF4) can be obtained, which effectively protects the CaS:Ce3+ core from degradation in aqueous environment and enhances its luminescence intensity. As a proof of concept, a label-free aptasensor is further constructed by combining core–shell CaS:Ce3+@NaYF4 and Au nanoparticles (AuNPs) for the ultrasensitive detection of kanamycin antibiotics. Based on the efficient FRET process, the detection linear range of kanamycin spans from 100 to 1000 nM with a detection limit of 7.8 nM. Besides, the aptasensor shows excellent selectivity towards kanamycin antibiotics, and has been successfully applied to the detection of kanamycin spiked in tap water and milk samples, demonstrating its high potential for sensing applications. [ABSTRACT FROM AUTHOR]

To solve the decrease in the crystallization, mechanical and thermal properties of recycled polyethylene terephthalate (rPET) during mechanical recycling, the aromatic amide fatty acid salt nucleating agents Na-4-ClBeAmBe, Na-4-ClBeAmGl and Na-4-ClAcAmBe were synthesized and the rPET/nucleating agent blend was prepared by melting blending. The molecular structure, the thermal stability, the microstructure and the crystal structure of the nucleating agent were characterized in detail. The differential scanning calorimetry (DSC) result indicated that the addition of the nucleating agent improved the crystallization temperature and accelerated the crystallization rate of the rPET. The nucleation efficiencies (NE) of the Na-4-ClBeAmBe, Na-4-ClBeAmGl and Na-4-ClAcAmBe were increased by 87.2%, 87.3% and 41.7% compared with rPET which indicated that Na-4-ClBeAmBe and Na-4-ClBeAmGl, with their long-strip microstructures, were more conducive to promoting the nucleation of rPET. The equilibrium melting points (T 0 m) of rPET/Na-4-ClBeAmBe, rPET/Na-4- ClBeAmGl and rPET/Na-4-ClAcAmBe were increased by 11.7 ◦C, 18.6 ◦C and 1.9 ◦C compared with rPET, which illustrated that the lower mismatch rate between rPET and Na-4-ClBeAmGl (0.8% in b-axis) caused Na-4-ClBeAmGl to be the most capable in inducing the epitaxial crystallization and orient growth along the b-axis direction of the rPET. The small angle X-ray diffraction (SAXS) result proved this conclusion. Meanwhile, the addition of Na-4-ClBeAmGl caused the clearest increase in the rPET of its flexural strength and heat-distortion temperature (HDT) at 20.4% and 46.7%. [ABSTRACT FROM AUTHOR]

Few rare‐earth (RE) atoms incorporated in lattice greatly tunned the optical, electrical, magnetic, and catalytic performance of doped crystal through the peculiar atomic electron structure of RE. The dimensionality scale‐down of RE oxides can further promote their unique traits and broaden their applications. The UV photodetection performance of (111) oriented CeO2 thin film is limited by the existence of grain boundaries, defects, and strains. Consequently, single‐crystal 2D CeO2 is promising for photodetection as it lacks of grain boundaries and defects. However, the synthesis of large‐sized high‐quality 2D CeO2 with lateral dimensions over 100 µm is challenging. In this work, a 3.9 nm thick CeO2 single crystal with 120 µm lateral size is synthesized over a sapphire substrate through a salt‐assisted chemical vapor deposition method, in which an intermediate insulating CeAlO3 layer is formed between the substrate and 2D CeO2 to enhance the crystal lattice matching and therefore facilitates the large area growth. The photodetector based on 2D CeO2 exhibits a photo response from 395 to 532 nm, possibly ascribed to a micro‐strain narrowed bandgap induced at the heterointerface. The photoresponsivity reaches 43.6 A W−1 while the detectivity reaches 7.58 × 1011 Jones under the 395 nm laser irradiation. Besides, the sub‐ms switching kinetics is achieved without gating bias, which is significantly improved over other reported RE oxides‐based photodetectors. This work demonstrates the possibility of the synthesis of large‐size high‐quality 2D RE oxides and their strong potential in high‐performance optoelectronic devices. [ABSTRACT FROM AUTHOR]

Lean‐zinc anode is a promising configuration that can eliminate the trade‐off of energy density and cycle lifetime of zinc metal (Zn0) batteries. However, there are rare investigations of lean‐Zn anode designs and it remains a grand change to sustain high zinc reversibility under lean zinc conditions. Herein, a lean‐Zn anode design based on a hierarchical and zincophilic cobalt metal (Co0) nanowire‐decorated carbon host, which is derived from a ZnCo bimetallic organic framework, is reported. Within the lean‐Zn anode, the trace amount of Zn0 acts as a zinc reservoir to make up for any irreversible loss of zinc source upon cycling, while the zincophilic Co0 nanowires can guide uniform zinc nucleation and growth through a lattice matching mechanism. Consequently, high Zn0 reversibility (average Coulomb efficiency of 99.6% for 4250 cycles), low nucleation overpotential (50.8 mV at 1 mA cm−2), and uniform and compact zinc electrodeposition are realized. When coupling the lean‐Zn anode with a Zn‐containing cathode, the full cell delivers high Coulomb efficiency (99.6% for 4250 cycles on average) and a long lifetime of more than 5000 cycles. [ABSTRACT FROM AUTHOR]

Abstract Few rare‐earth (RE) atoms incorporated in lattice greatly tunned the optical, electrical, magnetic, and catalytic performance of doped crystal through the peculiar atomic electron structure of RE. The dimensionality scale‐down of RE oxides can further promote their unique traits and broaden their applications. The UV photodetection performance of (111) oriented CeO2 thin film is limited by the existence of grain boundaries, defects, and strains. Consequently, single‐crystal 2D CeO2 is promising for photodetection as it lacks of grain boundaries and defects. However, the synthesis of large‐sized high‐quality 2D CeO2 with lateral dimensions over 100 µm is challenging. In this work, a 3.9 nm thick CeO2 single crystal with 120 µm lateral size is synthesized over a sapphire substrate through a salt‐assisted chemical vapor deposition method, in which an intermediate insulating CeAlO3 layer is formed between the substrate and 2D CeO2 to enhance the crystal lattice matching and therefore facilitates the large area growth. The photodetector based on 2D CeO2 exhibits a photo response from 395 to 532 nm, possibly ascribed to a micro‐strain narrowed bandgap induced at the heterointerface. The photoresponsivity reaches 43.6 A W−1 while the detectivity reaches 7.58 × 1011 Jones under the 395 nm laser irradiation. Besides, the sub‐ms switching kinetics is achieved without gating bias, which is significantly improved over other reported RE oxides‐based photodetectors. This work demonstrates the possibility of the synthesis of large‐size high‐quality 2D RE oxides and their strong potential in high‐performance optoelectronic devices.

In this work, the interfacial atomic bonding process and atom-matching structure of Al atoms deposited on the crystal plane of CoCrFeNi HEA were investigated by first-principles calculations. The relevant physical parameters, including crystal structure, lattice constants, chemical bonding, and differential charge distribution, were studied in detail. The results showed that the constructed crystal model of CoCrFeNi HEA has a stable structure, and the binding energy of Al atoms deposited constantly on different crystal planes at different sites is less than −16.21 eV, indicating a strong interface bonding ability. With the increase in deposited atoms, the material is subjected to a phase transition from two-dimensional chemical adsorption of Al atoms in a single layer to three-dimensional chemical binding of the bulk. Furthermore, the electron cloud occurred through the interaction of positive and negative charges at the interface, indicating that the charge has been transferred along with a chemical bond between Al and CoCrFeNi atoms. It can be thought that the interface formed a stable structure and possessed low mismatch stress. This work provides a theoretical basis for designing CoCrFeNi series HEA-reinforced Al matrix composites. [ABSTRACT FROM AUTHOR]

Our research aims to investigate the fabrication of additively manufactured (AMed) Ti-6Al-4V samples under reduced power with the addition of TiC heterogeneous nucleation site particles. For this aim, Ti-6Al-4V samples are fabricated with and without TiC heterogeneous nucleation site particles using an EOS M 290 machine under optimal parameters and reduced power conditions. The microstructure and tensile behavior of the produced samples were studied. In addition, a single-track test was performed to obtain a good understanding of the suppression of gas pores and balling formation with the addition of TiC heterogeneous nucleation site particles. It was found that the formation of gas pores and balling was suppressed with the addition of heterogeneous nucleation site particles within the metallic powder. [ABSTRACT FROM AUTHOR]

Rechargeable magnesium batteries (RMBs) are promising next‐generation low‐cost and high‐energy devices. Among all RMBs, anode‐free magnesium metal batteries that use in situ magnesium‐plated current collectors as negative electrodes can afford optimal energy densities. However, anode‐free magnesium metal batteries have remained elusive so far, as their practical application is plagued by low Mg plating/stripping efficiency due to nonuniform Mg deposition on conventional anode current collectors. Herein, for the first time, an anode‐free Mg‐metal battery is developed by employing a 3D MXene (Ti3C2Tx) film with horizontal Mg electrodeposition. The magnesiophilic oxygen and reactive fluorine terminations in MXene enable an enriched local magnesium‐ion concentration and a durable magnesium fluoride‐rich solid electrolyte interphase on the Ti3C2Tx film surface. Meanwhile, Ti3C2Tx MXene exhibits a high lattice geometrical fit with Mg (≈96%) to guide the horizontal electrodeposition of Mg. Consequently, the developed Ti3C2Tx film achieves reversible Mg plating/stripping with high Coulombic efficiencies (>99.4%) at high‐current‐density (5.0 mA cm−2) and high‐Mg‐utilization (50%) conditions. When this Ti3C2Tx film is coupled with a pre‐magnesized Mo6S8 cathode, the anode‐free Mg‐metal full‐cell prototype exhibits a volumetric energy density five times higher than its standard Mg‐metal counterpart. This work provides insights into the rational design of anode current collectors to guide horizontal Mg electrodeposition for anode‐free Mg metal batteries. [ABSTRACT FROM AUTHOR]

A number of studies have been carried out to identify the mechanism of grain refinement in cast aluminum alloys by addition of grain refiners containing potent heterogeneous nucleation site particles. Although some mechanisms and theories have been proposed, in this review, the role of heterogeneous nucleation site particles on grain refining performance will be focused. The content of this article is as follows. First, the morphology of Al3Ti particles in the AlTi refiners is presented, since the grain refining performance of the AlTi refiners is affected by the morphology of the Al3Ti particles. Evaluation methods of lattice matching between heterogeneous nucleation site and crystallized phase are, then, discussed. Since we conclude that M value is potentially applicable to predict the effective heterogeneous nucleation site, M value at elevated temperatures is described. Next, fragmentation behavior of Al3Ti particles caused by deformation of the refiners is presented, because the number density of the Al3Ti heterogeneous nucleation site particles is increased by the fragmentation of Al3Ti particles. At the same time, the morphology of the Al3Ti particles, which affects the grain refining performance, can be changed. The concept of grain refiners with highsymmetry L12 modified (Al1-xMex)3Ti intermetallic compound particles, fabrication method and some results on grain refining performance are also given. Finally, application of heterogeneous nucleation for other fields are described. [ABSTRACT FROM AUTHOR]

A sol–gel tandem with a solid-phase modification procedure was developed to synthesize Li2TiO3-doped LiCoO2 together with phosphate coatings (denoted as LCO-Ti/P), which possesses excellent high-voltage performance in the range of 3.0–4.6 V. The characterizations of X-ray diffraction, high-resolution transmission electron microscopy, and X-ray photoelectron spectroscopy illustrated that the modified sample LCO-Ti/P had the dopant of monoclinic Li2TiO3 and amorphous Li3PO4 coating layers. LCO-Ti/P has an initial discharge capacity of 211.6 mAh/g at 0.1 C and a retention of 85.7% after 100 cycles at 1 C and 25 ± 1 °C between 3.0 and 4.6 V. Nyquist plots reflect that the charge transfer resistance of LCO-Ti/P after 100 cycles at 1 C is much lower than that of the spent LCO, which benefits Li-ion diffusion. Density functional theory calculations disclose the superior lattice-matching property of major crystal planes for Li2TiO3 and LiCoO2, the lower energy barriers for Li-ion diffusion in Li2TiO3, and the suppressed oxygen release performance resulting from phosphate adsorption. This work provides useful guidance on the rational design of the high-voltage performance of modified LiCoO2 materials in terms of lattice-matching properties aside from the phosphate coating to reduce the energy barriers of Li-ion diffusion and enhance cycling stability. [ABSTRACT FROM AUTHOR]

NIR excitable OHP-UCNP nano-heterostructures consisting of hexagonal phase UCNP and cubic phase OHP are synthesized and the stability of OHP in the nano-heterostructures is much improved as compared to bare OHP. An inert shell is coated on the OHP-UCNP nano-heterostructures to further improve the stability using the same UCNP material. [Display omitted] Despite having exceptional optical and photoelectric properties, the application of organometal halide perovskites (OHP) is restricted due to the limited penetration depth of the UV excitation light and poor stability. Attempts have been made to make composite materials by mixing other materials such as upconversion nanoparticles (UCNP) with OHP. In contrast to linear absorption and emission of OHP, the nonlinear upconversion of UCNP offers numerous advantages such as deep penetration depth of the near-infrared (NIR) excitation light, minimal photodamage to biological tissues, and negligible background interference, which offer great potential in various applications such as multiplexed optical encoding, three-dimensional displays, super-resolution bioimaging, and effective solar spectrum conversion. However, it is challenging to synthesize hybrid OHP-UCNP nanocrystals due to the inherent difference in crystal structures of hexagonal phase UCNP and cubic phase OHP. In this work, we report OHP-UCNP heterostructured nanocrystals synthesized via growing cubic phase NaGdF 4 UCNP over cubic phase CsPbBr 3 OHP in a seed-mediated process based on a very small lattice mismatch and then converting cubic phase UCNP to hexagonal phase through heating. The juxtaposition of UCNP over OHP in a single nanocrystal facilitates efficient energy transfer from UCNP to OHP under NIR excitation and acts as a protective layer improving the stability. The stability is further enhanced by coating an inert UCNP shell on the OHP-UCNP nano-heterostructures with the same UCNP material earlier used in the heterostructures. The coating demonstrated greater stability under continuous UV exposure and in harsh environments such as high temperatures and polar solvents. These NIR excitable perovskite-UCNP nano-heterostructures with improved stability have great potential for use in new optoelectronic and biological applications. [ABSTRACT FROM AUTHOR]

In this work, the interfacial atomic bonding process and atom-matching structure of Al atoms deposited on the crystal plane of CoCrFeNi HEA were investigated by first-principles calculations. The relevant physical parameters, including crystal structure, lattice constants, chemical bonding, and differential charge distribution, were studied in detail. The results showed that the constructed crystal model of CoCrFeNi HEA has a stable structure, and the binding energy of Al atoms deposited constantly on different crystal planes at different sites is less than −16.21 eV, indicating a strong interface bonding ability. With the increase in deposited atoms, the material is subjected to a phase transition from two-dimensional chemical adsorption of Al atoms in a single layer to three-dimensional chemical binding of the bulk. Furthermore, the electron cloud occurred through the interaction of positive and negative charges at the interface, indicating that the charge has been transferred along with a chemical bond between Al and CoCrFeNi atoms. It can be thought that the interface formed a stable structure and possessed low mismatch stress. This work provides a theoretical basis for designing CoCrFeNi series HEA-reinforced Al matrix composites.

Owing to the considerable capacity, high safety, and abundant zinc resources, zinc-ion batteries (ZIBs) have been garnering much attention. Nonetheless, the unsatisfactory cyclic lifespan and poor reversibility originate from side reactions and dendrite obstacles to their practical applications. In addition to inhibiting the corrosion of aqueous electrolytes, regulating planar deposition is a key strategy to enhance their long-term stability. Herein, an in situ conversion strategy is reported to construct a protective "dual-layer" structure (VZSe/V@Zn) on zinc metal, consisting of the VSe 2 -ZnSe outer layer with low lattice mismatch to Zn (002) plane, and corrosion-resistant nanometallic V inner layer. Such design integrates superior interfacial ionic/electronic transfer, corrosion resistance, and unique planar deposition regulation capability. The as-prepared VZSe/V@Zn demonstrates remarkable durability of 238 h at 50 mA cm -2 with a high depth of discharge (68.3% DOD) in the Zn||Zn symmetric cell. Even in the anode-free system, the as-prepared protective layer can extend the cycle life up to 2000 cycles, with an outstanding capacity retention of 93.1% and ultra-high average coulombic efficiency of 99.998%. This work delineates an effective strategy for fabricating lattice-matching protective layers, with profound implications for elucidating zinc deposition mechanisms and paving the way for the development of high-performance zinc batteries., (© 2024 Wiley‐VCH GmbH.)

Theoretically, coherent tunnelling through an MgO barrier can achieve over 1,000% magnetoresistance at room temperature. To date, this has not been demonstrated experimentally. In this article, we have categorised magnetic tunnel junctions into four groups and have investigated possible causes of the reduction in their magnetoresistance by correlating their interfacial atomic structures and spin-polarised electron transport. We have concluded that the spin fluctuation induced by dislocations and disordering at a ferromagnet/barrier interface reduced the corresponding magnetoresistance.

Our research aims to investigate the fabrication of additively manufactured (AMed) Ti-6Al-4V samples under reduced power with the addition of TiC heterogeneous nucleation site particles. For this aim, Ti-6Al-4V samples are fabricated with and without TiC heterogeneous nucleation site particles using an EOS M 290 machine under optimal parameters and reduced power conditions. The microstructure and tensile behavior of the produced samples were studied. In addition, a single-track test was performed to obtain a good understanding of the suppression of gas pores and balling formation with the addition of TiC heterogeneous nucleation site particles. It was found that the formation of gas pores and balling was suppressed with the addition of heterogeneous nucleation site particles within the metallic powder.

Copper metal is an attractive anode material for aqueous rechargeable batteries due to its high theoretical specific capacity (844 mAh g−1), good environmental compatibility and high earth abundance. However, the Cu anodes often suffer from poor deposition/stripping reversibility and nonuniform deposition during the charge/discharge process, degrading the lifetime of aqueous Cu‐metal batteries. Herein, a lattice‐matching strategy was developed to design high‐performance Cu‐metal anodes. In such a strategy, Ni substrates that exhibit high lattice matching with Cu were selected to support the Cu anodes. The high lattice matching endows Cu anodes with high deposition/stripping reversibility, low nucleation overpotential as well as a uniform and dense electrodeposition on Ni substrates. Based on the Ni substrate‐supported Cu anodes, the full cells paired with lead dioxide cathodes show a stable cycling behavior. This work provides a route for the design of high‐performance Cu electrodes in aqueous rechargeable batteries. [ABSTRACT FROM AUTHOR]

In this article, molecular dynamics simulation is used to primarily explore the lattice matching problem of solute atoms in different configurations after entering the Fe lattice at 0 K temperature. It reveals that by changing the initial configurations, metal solute atoms (Cr, Cu, Ti, Al) are more stable in the <110> configuration while C atom tends to stay in the octahedral gap of the BCC lattice. In addition, the matching mechanisms of different solute atoms in BCC Fe lattice in different configurations are elaborated in detail. The relaxation of metal solute atoms in different configurations eventually forms different stable structures while C atoms only exist in the nearest‐neighbor octahedral gap of the BCC Fe lattice in each configuration. [ABSTRACT FROM AUTHOR]

• Two-dimensional porous CuSe@BiOI heterojunction catalysts with enriched amount of (1 0 2) exposure surfaces were induced by electrochemical deposition. • The porous CuSe has a matching lattice and provides a template for the epitaxial growth of BiOI nanosheets. • Isotropic transport accelerates electron transfer at the interface and achieves an excellent selectivity of 80.5% for HCOOH conversion. • The synergistic effect of the heterostructure and charge transport improves the photoelectric detection performance of the catalyst and increases the universality of the catalyst. Using photoelectrochemical technology to construct efficient photoelectric materials has aroused extensive research interest. In this study, we propose a two-dimensional porous CuSe@BiOI isotype heterojunction photocathode for CO 2 reduction to formic acid. The heterojunction was constructed by the epitaxial growth of high-quality oriented BiOI nanosheets onto the porous CuSe framework. The CuSe framework as a template to ensure the formation of the (1 0 2) facets of BiOI and the isotropic charge transport characteristics of the (1 0 2) surface greatly improve the efficiency of charge separation and transfer. This CuSe@BiOI isotype heterojunction electrode can efficiently reduce CO 2 to formic acid with a selectivity of up to 80.5 % in 0.5 M potassium bicarbonate aqueous solution. Meanwhile, the performance of the photodetector based on CuSe@BiOI heterostructure is 6.97 × 1011 Jones and a response rate of 87.13 mA W−1. This finding provides a new approach to designing stable heterojunction photoelectrocatalysts with isotropy. [ABSTRACT FROM AUTHOR]

Many material properties can be traced back to properties of their grain boundaries. Grain boundary energy (GBE), as a result, is a key quantity of interest in the analysis and modeling of microstructure. A standard method for calculating grain boundary energy is molecular dynamics (MD); however, on-the-fly MD calculations are not tenable due to the extensive computational time required. Lattice matching (LM) is a reduced-order method for estimating GBE quickly; however, it has only been tested against a relatively limited set of data, and does not have a suitable means for assessing error. In this work, we use the recently published dataset of Homer et al. (2022) to assess the performance of LM over the full range of GB space, and to equip LM with a metric for error estimation. LM is used to generate energy estimates, along with predictions of facet morphology, for each of the 7,304 boundaries in the Homer dataset. The relative and absolute error of LM, based on the reported MD data, is found to be 5%–8%. An essential part of the LM method is the faceting relaxation, which corrects the expected energy by convexification across the compact space (S 2) of boundary plane orientations. The original Homer dataset did not promote faceting, but upon extended annealing, it is shown that facet patterns similar to those predicted by LM emerge. [Display omitted] [ABSTRACT FROM AUTHOR]

The built-in electric field is established in the lattice-matched Delafossite-based heterogeneous interfaces, providing rapid and smooth charge migration and transfer via the Z-scheme pathways. [Display omitted] • The lattice-matched Delafossite-based core–shell CuRhO 2 @CuGaO 2 heterojunction was designed and constructed. • The Z-scheme charge transfer mechanism between CuRhO 2 and CuGaO 2 was proposed. • Lattice matching is beneficial for the rapid and smooth transfer and migration of charge carriers. • CuRhO 2 @CuGaO 2 shows high photocurrent density and photocatalytic activity for tetracycline antibiotics degradation. The establishment of heterojunctions at phase interfaces represents a pivotal strategy for enhancing photocatalytic performance. However, the inferior interfacial contact caused by the mismatch of crystal structure or lattice parameters seriously hampers the rapid and smooth migration of charge carriers in traditional heterojunctions. In this work, a tightly integrated Delafossite-based core–shell CuRhO 2 @CuGaO 2 heterojunction was judiciously designed and constructed via a hydrothermal approach. Experimental and density-functional theory calculation results co-unravel that the built-in electric field is established in the lattice-matched heterogeneous interfaces, thereby providing smooth interface charge separation and transfer via the Z-scheme pathways. Benefitting from the heterojunction effect and unique core–shell coupling architecture, the strong visible light absorption and fast spatial charge transfer are realized in the CuRhO 2 @CuGaO 2 heterostructure. The photocurrent density of the CuRhO 2 @CuGaO 2 heterojunction is nearly 1.25 and 3.75 times those of pristine CuRhO 2 and CuGaO 2 , respectively. As a result, the CuRhO 2 @CuGaO 2 heterostructure reveals an excellent photocatalytic degradation rate of tetracycline hydrochloride, achieving a 3.02 and 2.38-fold improvement than those of the CuRhO 2 and CuGaO 2 , respectively. This work is expected to pave the way for novel insights into the design of efficient heterojunction photocatalysts to steer the rapid photocarrier flows across the heterointerface. [ABSTRACT FROM AUTHOR]

Based on the photovoltaic properties and tandem solar cells theory, Gallium Indium Arsenide/Germanium Stannide (GaInAs/GeSn)-based double-junction (DJ) solar cells have been numerically simulated for the first time. In this study, we explore the band gap combination under lattice matching and obtain the content of In/Sn at optimal efficiency, which is expressed as Ga _0.84 In _0.16 As/Ge _0.93 Sn _0.07 DJ solar cell (1.20/0.58 eV). Afterward, it is optimized in terms of variation in the doping contents and active layer thickness. To take full advantage of the electron mobility of the material, the optimal ‘inverted doping profile’ concentration N _a(d) is 1.5(5)/5(20) × 10 ^18 cm ^−3 . In addition, the reasonable p ( n ) layer thickness could be comprised of 0.2–0.8(0.2–1)/0.5–3(1–4) μ m of the DJ solar cells with less material consumption. When the p ( n ) layer thickness is 0.30(0.25)/0.9(1.35) μ m, the tandem device can achieve an optimal efficiency of 31.00% with 28.98 mA cm ^−2 ( J _sc ), 1.25 V ( V _oc ) and 85% ( FF ). This study highlights that GeSn materials have the potential to combine with III–V materials to form low-cost and high-efficiency tandem devices.

Anode materials for sodium ion batteries (SIBs) are confronted with severe volume expansion and poor electrical conductivity. Construction of assembled structures featuring hollow interior and carbon material modification is considered as an efficient strategy to address the issues. Herein, a novel template-assisted epitaxial growth method, ingeniously exploiting lattice matching nature, is developed to fabricate hollow ordered architectures assembled by SnO 2 nanorods. SnO 2 nanorods growing along [100] direction can achieve lattice-matched epitaxial growth on (110) plane of α-Fe 2 O 3 . Driven by the lattice matching, different α-Fe 2 O 3 templates possessing different crystal plane orientations enable distinct assembly modes of SnO 2 , and four kinds of hollow ordered SnO 2 @C nanorods arrays (HONAs) with different morphologies including disc, hexahedron, dodecahedron and tetrakaidecahedron (denoted as Di-, He-, Do-, and Te-SnO 2 @C) are achieved. Benefiting from the synergy of hollow structure, carbon coating and ordered assembly structure, good structural integrity and stability and enhanced electrical conductivity are realized, resulting in impressive sodium storage performances when utilized as SIB anodes. Specifically, Te-SnO 2 @C HONAs exhibit excellent rate capability (385.6 mAh·g -1 at 2.0 A·g -1 ) and remarkable cycling stability (355.4 mAh·g -1 after 2000 cycles at 1.0 A·g -1 ). This work provides a promising route for constructing advanced SIB anode materials through epitaxial growth for rational structural design., (© 2024 Wiley‐VCH GmbH.)

To solve the decrease in the crystallization, mechanical and thermal properties of recycled polyethylene terephthalate (rPET) during mechanical recycling, the aromatic amide fatty acid salt nucleating agents Na-4-ClBeAmBe, Na-4-ClBeAmGl and Na-4-ClAcAmBe were synthesized and the rPET/nucleating agent blend was prepared by melting blending. The molecular structure, the thermal stability, the microstructure and the crystal structure of the nucleating agent were characterized in detail. The differential scanning calorimetry (DSC) result indicated that the addition of the nucleating agent improved the crystallization temperature and accelerated the crystallization rate of the rPET. The nucleation efficiencies ( NE ) of the Na-4-ClBeAmBe, Na-4-ClBeAmGl and Na-4-ClAcAmBe were increased by 87.2%, 87.3% and 41.7% compared with rPET which indicated that Na-4-ClBeAmBe and Na-4-ClBeAmGl, with their long-strip microstructures, were more conducive to promoting the nucleation of rPET. The equilibrium melting points (Tm0) of rPET/Na-4-ClBeAmBe, rPET/Na-4-ClBeAmGl and rPET/Na-4-ClAcAmBe were increased by 11.7 °C, 18.6 °C and 1.9 °C compared with rPET, which illustrated that the lower mismatch rate between rPET and Na-4-ClBeAmGl (0.8% in b-axis) caused Na-4-ClBeAmGl to be the most capable in inducing the epitaxial crystallization and orient growth along the b-axis direction of the rPET. The small angle X-ray diffraction (SAXS) result proved this conclusion. Meanwhile, the addition of Na-4-ClBeAmGl caused the clearest increase in the rPET of its flexural strength and heat-distortion temperature ( HDT ) at 20.4% and 46.7%.

Multi-junction solar cells play a crucial role in the ConcentratedPhotovoltaic (CPV) Systems. Recent developments in CPV concerning high powerproduction and cost effective-ness along with better efficiency are due to theadvancements in multi-junction cells. This paper presents a simulation model of thegeneralized Multi-junction solar cell and introduces a two-bond solar cell based onInGaP/GaAs with an AlGaAs/GaAs tunnel layer.For enhancing the efficiency of theproposed solar cell, the model adopts absorption enhancement techniques as well asreducing loss of recombination by manipulating number of junctions and varying thematerial properties of the multi-junctions and the tunneling layer. The proposed Multijunctionsolar cell model employing tunnel junctions can improve efficiency up to by35.6%. The primary results of the simulation for the proposed structure indicate that it ispossible to reduce the loss of recombination by developing appropriate lattice matchamong the layers; it is also likely to have suitable absorption level of the phonons.Simulation results presented in this paper are in agreement with experimental results.

Flat‐on lamellar crystals are crucial for gas‐barrier polymer films. The formation of this lamellar crystalline structure with chains perpendicular to the substrate is currently understood as the result of confined crystallization, e.g., in block copolymers and ultrathin polymer films. In this paper, it is demonstrated that these flat‐on lamellar crystals of various thermoplastic polymers may form on stainless steel and silicon wafer surfaces without the presence of confined crystallization. Atomic force microscopy, high‐resolution scanning electron microscopy, and polarized light hot‐stage microscopy are used to characterize the formation of the lamellar crystals. Further results show that the surface physicochemical properties of the substrates strongly influence the formation of these lamellar crystals. A hypothesis, based on the heterogeneous crystallization theory, is proposed to explain the formation of such flat‐on lamellar crystals. These results are crucial for a fundamental understanding of the formation of lamellar crystals and may provide a new approach to fabricate such structures. [ABSTRACT FROM AUTHOR]

Abstract Organic micro/nanocrystals have been intensively studied and great progress has been achieved in both the modulation of optical/electronical property and the controllable synthesis of single component of low‐dimensional materials. In particular, organic heterostructures (OHSs) are one of the key factors for the multifunctional optoelectronic devices to construct integrated circuits. However, the fine synthesis of OHSs remains a challenge due to the easy occurrence of homogeneous nucleation raised by the weak intermolecular interaction. A facile solution “bottom‐up” fabrication approach is demonstrated for the longitudinal‐ and horizontal‐growth OHSs through building up blocks of MPY (1,4‐phenylene‐bis(3‐(2‐methoxylpyridin‐6‐yl)acrylonitrile)) nanowires and polymorphic TBPe (2,5,8,11‐tetra‐tert‐butylperylene) microcrystals by controlling the evaporation rate of solvents. The growth directions of longitudinal and horizontal OHSs are demonstrated to be driven by the face‐selective principle and the lowest energy principle, respectively. The directional controllable fabrication method provides a novel strategy for the fine synthesis of OHSs. In addition, three models of optical logic gates “100,” “110,” and “111” based on these as‐prepared OHSs with multiple outputs are constructed, which are the potential candidates for the multifunctional integrated optoelectronics.

The stability of perovskite solar cells (PSCs) has been identified to be the bottleneck toward their industrialization. With the aim of tackling this challenge, a 1D PbI2‐bipyridine (BPy)(II) perovskite is fabricated, which is shown to be capable of in situ assembly of a 1D@3D perovskite that is promoted by a PbI2‐dimethyl sulfoxide complex with a skeletal linear chain structure. The as‐prepared 1D@3D perovskite is observed to demonstrate extremely high stability under external large electric fields in humid environments by means of an in situ characterization technique. This stability is associated with its well lattice‐matching heterojunction structure between 1D and 3D heterojunction domains. Importantly, ion migration is alleviated through blocking of the ion‐migration channels. Accordingly, the 1D@3D hybrid PSC shows a power conversion efficiency of 21.18% maintaining remarkably high long‐term stability in the presence of water, illumination, and external electric fields. This rational design and microstructure study of 1D@3D perovskites provides a new paradigm that may enable higher efficiency and stability of PSCs. [ABSTRACT FROM AUTHOR]

Indium phosphide quantum dots (QDs) have drawn attention as alternatives to cadmium- and lead-based QDs that are currently used as phosphors in lamps and displays. The main drawbacks of InP QDs are, in general, a lower photoluminescence quantum yield (PLQY), a decreased color purity, and poor chemical stability. In this research, we attempted to increase the PLQY and stability of indium phosphide QDs by developing lattice matched InP/MgSe core–shell nanoheterostructures. The choice of MgSe comes from the fact that, in theory, it has a near-perfect lattice match with InP, provided MgSe is grown in the zinc blende crystal structure, which can be achieved by alloying with zinc. To retain lattice matching, we used Zn in both the core and shell and we fabricated InZnP/ZnxMg1–xSe core/shell QDs. To identify the most suitable conditions for the shell growth, we first developed a synthesis route to ZnxMg1–xSe nanocrystals (NCs) wherein Mg is effectively incorporated. Our optimized procedure was employed for the successful growth of ZnxMg1–xSe shells around In-(Zn)P QDs. The corresponding core/shell systems exhibit PLQYs higher than those of the starting In-(Zn)P QDs and, more importantly, a higher color purity upon increasing the Mg content. The results are discussed in the context of a reduced density of interface states upon using better lattice matched ZnxMg1–xSe shells. [ABSTRACT FROM AUTHOR]

Organic micro/nanocrystals have been intensively studied and great progress has been achieved in both the modulation of optical/electronical property and the controllable synthesis of single component of low‐dimensional materials. In particular, organic heterostructures (OHSs) are one of the key factors for the multifunctional optoelectronic devices to construct integrated circuits. However, the fine synthesis of OHSs remains a challenge due to the easy occurrence of homogeneous nucleation raised by the weak intermolecular interaction. A facile solution "bottom‐up" fabrication approach is demonstrated for the longitudinal‐ and horizontal‐growth OHSs through building up blocks of MPY (1,4‐phenylene‐bis(3‐(2‐methoxylpyridin‐6‐yl)acrylonitrile)) nanowires and polymorphic TBPe (2,5,8,11‐tetra‐tert‐butylperylene) microcrystals by controlling the evaporation rate of solvents. The growth directions of longitudinal and horizontal OHSs are demonstrated to be driven by the face‐selective principle and the lowest energy principle, respectively. The directional controllable fabrication method provides a novel strategy for the fine synthesis of OHSs. In addition, three models of optical logic gates "100," "110," and "111" based on these as‐prepared OHSs with multiple outputs are constructed, which are the potential candidates for the multifunctional integrated optoelectronics. [ABSTRACT FROM AUTHOR]

The structural and optoelectronic properties of technologically important CdxZn1−xSeyTe1−y quaternary alloys have been calculated using the density functional theory (DFT)-based full potential (FP)-linearized augmented plane wave (LAPW) approach. The exchange–correlation potentials are calculated using the Perdew–Burke–Ernzerhof (PBE)-generalized gradient approximation (GGA) scheme for the structural properties and both the modified Becke–Johnson (mBJ) and Engel–Vosko (EV)-GGA schemes for the optoelectronic properties. A direct bandgap (Γ – Γ ) is observed for all the examined compositions in the CdxZn1−xSeyTe1−y quaternary system. At each cationic (Cd) concentration x, the lattice constant decreases while the bulk modulus and bandgap increase nonlinearly with increasing anionic (Se) concentration y. On the other hand, a nonlinear increase in the lattice constant but a decrease in the bulk modulus and bandgap are observed with increasing cationic concentration x at each anionic concentration y. The contour maps calculated for the lattice constant and energy bandgap will be useful for designing new quaternary alloys with desired optoelectronic properties. Several interesting features are observed based on the study of the optical properties of the alloys. The compositional dependence of each calculated zero-frequency limit shows the opposite trend, while each calculated critical point shows a similar trend, with respect to that found for the compositional dependence of the bandgap. Finally, the results of these calculations suggest that ZnTe, InAs, GaSb, and InP are suitable substrates for the growth of several zincblende CdxZn1−xSeyTe1−y quaternary alloys. [ABSTRACT FROM AUTHOR]

Although metal oxides based gas sensors have been researched extensively in previous works, there are enormous challenges on improving the deficiencies in poor selectivity, sensitivity, humidity resistance and so on. Hence, we developed an epitaxial growth method to prepare dendritic Co 3 O 4 /In 2 O 3 -(1−3) heterostructures of distinct Co/In mass ratios through perfect lattice matching between the two crystal domains at the interface, along with introducing large amounts of oxygen vacancies. As a result, the Co 3 O 4 /In 2 O 3 -2 heterostructure based gas sensor showed enhanced sensing properties towards triethylamine (TEA, 100 ppm) with a high response value of Ra/Rg = 576.1 at an optimal working temperature of 200 °C, which is 93 times higher than that of pristine In 2 O 3. Moreover, the Co 3 O 4 /In 2 O 3 -2 sensor exhibited excellent gas selectivity, quick recovery time, repeatable cycling, long-term stability, as well as outstanding humidity resistance. The improved TEA gas sensing performance can be attributed to the integration of interfacial synergies in Co 3 O 4 /In 2 O 3 p-n heterostructure and generation of rich oxygen vacancies, exposing more active sites to facilitate the adsorption/desorption of gas molecules. This work provides a feasible pathway to regulate TEA sensing performance of metal oxide semiconductor (MOS) gas sensors by capitalizing on self-sacrificial template strategy and reconstruction of novel metal oxide heterostructure. [Display omitted] • Dendritic Co 3 O 4 /In 2 O 3 heterostructure with perfect lattice matching was prepared. • Effective charge transfer between two crystal domains at the interface was achieved. • The sensor exhibits enhanced triethylamine sensitivity due to rich oxygen vacancies. • The sensor also shows good gas selectivity, fast recovery time, and cyclic stability. • Both interfacial synergies and oxygen vacancies contribute to gas sensing mechanism. [ABSTRACT FROM AUTHOR]

The development of photocatalytic nano-purifiers with high electrons and holes separation efficiency and high-photocatalytic activity is essential in treating water and air pollution. In this paper, novel nano-purifiers with S-scheme faceted heterojunction created between BiOCl nanosheets (110) facets and TiO 2 hollow nanocubes (001) facets were successfully fabricated. In nano-purifiers, BiOCl nanosheets are enriched with oxygen vacancies capable of trapping electrons, which synergize with the unique S-scheme faceted heterojunction charge transfer mechanism to facilitate carrier separation and migration to a large extent. Herein, BiOCl(110) nanosheets/TiO 2 (001) hollow nanocubes nano-purifiers (BTHNs) were significantly enhanced in photocatalytic treatment of water and air pollution and were not inferior to other cleaning agents. The obtained 15BTHNs showed the best photocatalytic purification ability among the same series of products. 15BTHNs could degrade 99.9% of RhB in 70 min, which was 25 times higher than that of pure THNs, and effectively removed 44.8% of NO. Moreover, the reduction rate of Cr (Ⅵ) for 15BTHNs reached 99.9% in 90 min, with a kinetic constant 21.5 times higher than that of pure THNs. Active species trapping experiments revealed that four active species of BTHNs contributed to the RhB oxidation reaction in the following order:·OH>h+>·O 2 ->e-, and the contribution rates of 15BTHNs were 45.0%, 38.0%, 12.3%, and 4.7%, respectively. The appropriate ratios of oxidizing TiO 2 to reducing BiOCl in 15BTHNs allowed the generated active species to be fully utilized, achieving oxidation-reduction equilibrium as well as improving the photocatalytic efficiency. This work reveals that the S-scheme faceted heterojunction formed in the BiOCl/TiO 2 nano-purifier was a progressing approach for water and air cleaning. [Display omitted] • A novel nano-purifier was designed by coupling BiOCl nanosheets with rich O vacancies to TiO 2 hollow nanocubes. • An S-scheme faceted heterojunction was formed between TiO 2 (001) facets and BiOCl (110) facets. • 15BTHNs demonstrated superb oxidation-reduction bifunctional purification capability in both water and air treatment. • ·OH and h+ are the main active species in the photocatalytic oxidation reaction of the nano-purifiers. • This work sheds new light on the correlation between O vacancies, faceted modification, and S-scheme heterojunction. [ABSTRACT FROM AUTHOR]

Herein a lattice-matched hexagonal/rhombohedral ZnIn 2 S 4 homojunction was constructed to boost photocatalytic performance. The ZnIn 2 S 4 homojunction was prepared by in situ growing the hexagonal ones on the surface of rhombohedral nanosheets via the hydrothermal method. The coherent growth of the (110) planes occurred for hexagonal and rhombohedral ZnIn 2 S 4 due to the lattice-matched plane. The as-prepared homojunction has an II-type band alignment. Under visible irradiation, the removal rates of methyl orange and Cr (VI) within 30 min reached 93.6% and 98.8%, respectively, and the rate constants of methyl orange removal are nearly 7.8 and 3.6 times that of hexagonal and rhombohedral ZnIn 2 S 4 , respectively. The characteristics of the coherent lattice plane and II-type band alignment promoted the efficient transfer and separation of photogenerated carriers for the as-prepared ZnIn 2 S 4 homojunction. It boosted the photocatalytic performance of the homojunction catalyst. This work provides an efficient strategy for inhibiting the recombination of the photogenerated carriers to construct an efficient photocatalyst. [Display omitted] • The lattice-matched hexagonal/rhombohedral ZnIn 2 S 4 homojunction was constructed in situ. • The hexagonal/rhombohedral ZnIn 2 S 4 homojunction presents a II-type band alignment. • The hexagonal/rhombohedral ZnIn 2 S 4 homojunction improved transfer and separation of photogenerated carriers. • The samples showed high photocatalytic activity for methyl orange degradation and Cr(VI) reduction. • The superoxide radical determined the removal of methyl orange. [ABSTRACT FROM AUTHOR]

Highlights • Lattice matching by CoRu interlayer between Pt-rich CoCrPtB and CrTi-(Mo, W) layers. • Oxygen atoms on surface of CoCrZr layer effects bcc (1 0 0) orientation of CrTi layer. • CoCrPtB/CoRu/CrTiMo/CoCrZr stacks exhibit high coercivity and small crystallite size. Abstract A nonmagnetic CoRu alloy was studied as a matching layer for the epitaxial growth of a CoCr 22 Pt 14 B 4 magnetic layer with hcp (1 1 0) crystal orientation on CrTi-alloy underlayers with bcc (1 0 0) crystal orientation. The CoRu matching layer realizes in-plane c-axis orientation, (1 1 0), of the CoCrPtB layer which has the same hcp structure as the CoRu has, and increases magnetic coercivity due to its magnetocrystalline anisotropy. Moreover, the combination of CrTi 10 Mo 10 or CrTi 10 W 10 underlayer with the CoRu 40 layer could significantly improve the (1 1 0) orientation of the CoCrPtB layer and increase the coercivity compared to that of CrTi 20 binary alloy underlayer with the CoRu 40 layer. [ABSTRACT FROM AUTHOR]