bluuebunny/crossref_metadata_2025_split huggingface dataset:
A New N‐Type High Entropy Semiconductor AgBiPbSe2S with High Thermoelectric and Mechanical Properties
Authors: Wei Yingchao , Ma Zheng , Li Wang , Li Chengjun , Yang Boyu , Sun Chengwei , Gang Shuangfu , Zhang Wenguang , Long Hui , Li Xin , Jiang Qinghui , Zhang Dan , Luo Yubo , Yang Junyou 
Published: February 2024

AbstractExploring N‐type High‐entropy materials with both high thermoelectric and mechanical properties is highly desirable for all‐high‐entropy thermoelectric generators (TEGs) since the thermoelectric and mechanical properties of N‐type one are largely behind its P‐type counterparts. Herein, a new rock‐salt structure N‐type high entropy thermoelectric AgBiPbSe2S is introduced with a bandgap of ≈0.43 eV. The atomic radii difference of each component results in a large lattice distortion of 0.246, leading to a low thermal conductivity of 0.36 W m−1 K−1 at 823 K. The figure of merit (ZT) reaches 0.6 for AgBiPbSe2S at 823 K. Moreover, Ag2Se precipitates are included in AgBiPbSe2S to filter low energy carriers for high Seebeck coefficients and to scatter phonons with nanoscale wavelength for ultralow lattice thermal conductivities. Consequently, a peak ZT of ≈1.18 at 823 K and an average ZT of 0.60 at 400–823 K are obtained for Ag1.02BiPbSe2S. More importantly, high mechanical properties are also obtained in Ag1.02BiPbSe2S, of which the Vickers hardness and flexural strength are ≈209 Hv and 32 MPa, respectively, originating from the enhanced lattice friction by chemical short‐range disorder (i.e., high entropy effect) and dispersion strengthening caused by Ag2Se nanoprecipitates.
Interface Chemical Bond Enhanced Ions Intercalated Carbon Nitride/CdSe‐Diethylenetriamine S‐Scheme Heterojunction for Photocatalytic H2O2 Synthesis in Pure Water
Authors: He Houwei , Wang Zhongliao , Zhang Jinfeng , Shao Chunfeng , Dai Kai , Fan Ke 
Published: February 2024

AbstractPhotosynthesis of hydrogen peroxide (H2O2) is regarded as an economically efficient and environmentally friendly synthesis method. However, the scalability of photocatalytic H2O2 production (PHP) is hindered by the sluggish reaction kinetics and rapid recombination of photogenerated charge carriers. In this study, an organic amine‐constrained ions intercalated carbon nitride/CdSe‐diethylenetriamine (K+/I−‐CN/CdSe‐D) S‐scheme heterojunction is synthesized using an organic–inorganic hybrid approach and employed for PHP for the first time. The optimization of the heterojunction interface by I− and K+ ions contributed to enhanced light absorption capabilities and reduced interlayer charge transfer distance. Concurrently, the synergy of C─Se bonds at interface effectively modulated the electron transfer pathways. The coordination environment and charge transfer mechanism are thoroughly investigated by extended X‐ray absorption fine structure and in situ irradiated X‐ray photoelectron spectroscopy. The H2O2 production rate of 40%K+/I−‐CN/CdSe‐D reached 2240.23 µmol h−1 g−1 in pure water. This study highlights the significance of dual tuning of interface chemical bonds and ionic intercalation as an effective strategy for enhancing the photocatalytic H2O2 , paving the way for further advancements in PHP technology.
Decoupling the Kinetic Essence of Iron‐Based Anodes through Anionic Modulation for Rational Potassium‐Ion Battery Design
Authors: Ma Meng , Yao Kai , Wang Yikun , Fattakhova‐Rohlfing Dina , Chong Shaokun 
Published: February 2024

AbstractPotassium‐ion batteries (PIBs) have favorable characteristics in terms of cell voltage and cost efficiency, making them a promising technology for grid‐scale energy storage. The rational design of suitable electrode materials on a theoretical basis, aiming at high power and energy density, is of paramount importance to bring this battery technology to the practical market. In this paper, a series of iron‐based compounds with different non‐metal anions are selectively synthesized to investigate the nature of kinetic differences induced by anionic modulation. A combination of experimental characterization and theoretical calculation reveals that iron phosphide, with its moderate adsorption energy (Ea) and lowest diffusion barrier (Eb), exhibits the best cycling and rate properties at low electrochemical polarization, which is related to the narrow Δd‐p band center gap that facilitates ion transfer. In addition, the optimization of the electrolyte formula results in the carbon‐supported iron phosphide anode running stably over 2000 cycles at 0.5 A g−1 and exhibiting a high rate capacity of 81.1 mAh g−1 at 2 A g−1. The superior electrochemical properties are attributed to the robust KF‐rich solid electrolyte interphase formed by the highly compatible KFSI in ethylene carbonate (EC)/diethyl carbonate (DEC) configuration.
Homeostatic Solid Solution Reaction in Phosphate Cathode: Breaking High‐Voltage Barrier to Achieve High Energy Density and Long Life of Sodium‐Ion Batteries
Authors: Gu Zhen‐Yi , Zhao Xin‐Xin , Li Kai , Cao Jun‐Ming , Wang Xiao‐Tong , Guo Jin‐Zhi , Liu Han‐Hao , Zheng Shuo‐Hang , Liu Dai‐Huo , Wu Hong‐Yue , Wu Xing‐Long 
Published: February 2024

AbstractThe stable phase transformation during electrochemical progress drives extensive research on vanadium‐based polyanions in sodium‐ion batteries (SIBs), especially Na3V2(PO4)3 (NVP). And the electron transfer between V3+/4+ redox couple in NVP could be generally achieved, owing to the confined crystal variation during battery service. However, the more favorable V4+/5+ redox couple is still in hard‐to‐access situation due to the high barrier and further brings about the corresponding inefficiency in energy densities. In this work, the multilevel redox in NVP frame (MLNP) alters reaction pathway to undergo homeostatic solid solution process and breaks the high barrier of V4+/5+ at high voltage, taking by progressive transition metal (V, Fe, Ti, and Cr) redox couple. The diversified reaction paths across diffusion barriers could be realized by distinctive release/uptake of inactive Na1 site, confirmed by the calculations of density functional theory. Thereby its volume change is merely 1.73% during the multielectron‐transfer process (≈2.77 electrons). MLNP cathode could achieve an impressive energy density of 440 Wh kg−1, driving the leading development of MLNP among other NASICON structure SIBs. The integration of multiple redox couples with low strain modulates the reaction pathway effectively and will open a new avenue for fabricating high‐performance cathodes in SIBs.
Movable Typography Inspired Tunable Meta‐Cylinder for Multi‐Directional Microwave Beam Shaping
Authors: Zhang Meng , Yao Shupei , Zhu Bifeng , Lin Jiahan , Tao Jifang , Shang Wenli , Zhang Wu 
Published: February 2024

AbstractIn this paper, a multi‐directional microwave beam shaping function through a tunable meta‐cylinder inspired by the movable typography technology is demonstrated. The meta‐cylinder is constructed with stacked identical octagonal layers. On each side wall of the octagonal layer, a 1D metasurface row is patterned. The metasurface rows on different side walls are designed to reflect microwave at different phase delays. As a result, each facet of the meta‐cylinder can be arranged into different metasurface row combinations and reflect a microwave into different beam shapes when rotating the stacked octagonal layers to different states. In addition, the rotation causes the same phase delay distribution change in all meta‐cylinder facets at the same time, therefore the meta‐cylinder can manipulate the microwave from different directions in the same way simultaneously. Based on this approach, a multi‐directional beam focusing function with tunable focal length is experimentally demonstrated. The dynamical beaming shaping of the microwave in multi‐direction will have high application potential in wireless communication and microwave signal transmission and omnidirectional antennas.
Grain yield and its contributing traits in promising sweetcorn hybrids
Authors: Shahrokhi Mohsen , Khorasani Saeed Khavari , Ortez Osler 
Published: February 2024

AbstractThe augmentation of domestic sweetcorn (Zea mays L. saccharata) production in semiarid regions necessitates the development of new superior hybrids with high yield potential. This study aimed to identify the most influential characteristics contributing to sweetcorn grain yield in these regions. Nineteen promising sweetcorn hybrids and the commercial hybrid KSC403su as the control were examined using a randomized complete block design with three replications in a 2‐year study (2021–2022) at the Khorasan Razavi Agricultural and Natural Resources Research and Education Institute Center (ARREO) in Mashhad, Iran. The combined analysis of variance revealed significant variances attributed to genotype (G) for all studied traits, while year (Y) and G × Y effects were significant for most characteristics. Phenotypic correlations indicated a highly significant association of grain yield with grain depth (r = 0.79, p < 0.01), kernel number per row (r = 0.75, p < 0.01), row number per ear (r = 0.63, p < 0.01), ear length (r = 0.58, p < 0.01), and ear diameter (r = 0.57, p < 0.01) traits. Path analysis results emphasized the critical role of traits such as grain depth, row number per ear, and ear length, showcasing a highly significant positive direct impact on grain yield and also a significantly positive association with grain yield. In this study, hybrids PSM3, PSM4, PSM9, PSM16, and PSM19 exhibited the highest values for grain yield and yield‐contributing traits, suggesting their potential for further research in multiple locations with varying environmental conditions before being recommended to farmers.
Amine Catalyzed Remote [4+2]‐annulation Of Indole Tethered Enal And Oxindole Olefin To Access Optically Pure Hydrocarbazole Spirooxindole Scaffolds
Authors: Prasad Madavi S. , Ramesh M. , Kumar Jha Aman , Bharani Sankar , Saha Souvik , Bedanta Thoudam , Chandrasekhar Ponnada , Sarasija M. 
Published: February 2024

AbstractThis research showcases a methodology for crafting highly intricate hydrocarbazole spirooxindole frameworks endowed with three consecutive stereocenters. Achieved through a trienamine‐catalyzed remote [4+2]‐annulation reaction, the method's significance is underscored by synthesizing an extensive array of library molecules (up to 27 examples). These compounds mimic natural products, exhibit good yields (up to 85 %), exceptional diastereo‐, enantiomeric ratios (up to 17 : 1 dr, 99.9 : 0.1 er). The practicality of our strategy is further exemplified by successfully synthesizing a hexahydroepoxyethanocarbazole spirooxindole scaffold via a sequential [4+2]‐annulation/‐reduction/epoxidation‐cyclization reaction, achieving a 75 % overall yield, maintaining an excellent stereoselectivity (99.5 : 0.5 er).
The Role of Phase Mixing Degree in Promoting C−C Coupling in Electrochemical CO2 Reduction Reaction on Cu‐based Catalysts
Authors: Wang Yinuo , Yang Fei , Xu Hongming , Jang Juhee , Delmo Ernest P. , Qiu Xiaoyi , Ying Zhehan , Gao Ping , Zhu Shangqian , Gu M. Danny , Shao Minhua 
Published: February 2024

AbstractCu‐based catalysts have been identified as the most promising candidates for generation of C2+ products in electrochemical CO2 reduction reaction. Defect engineering in catalysts is a widely employed strategy for promoting C−C coupling on Cu. However, comprehensive understanding of defect structure‐to‐activity relationship has not been obtained. In this study, controllable defects generation is achieved, which leads to a series of Cu‐based catalysts with various phase mixing degrees. It is observed that the Faradaic efficiency toward C2+ products increases with the phase mixing degree, reaching 81 % at maximum. In situ infrared absorption spectroscopy reveals that the catalysts with higher phase mixing degree tend to form *CO more easily and possess higher retention of *CO under high overpotential window, thereby promoting C−C coupling. This work sheds new light on the relationship between defects and C−C coupling, and the rational developed of more advanced Cu‐base catalysts.
Confining Polymer Electrolyte in MOF for Safe and High‐Performance All‐Solid‐State Sodium Metal Batteries
Authors: Zhang Jinfang , Wang Yuanyuan , Xia Qingbing , Li Xiaofeng , Liu Bin , Hu Tuoping , Tebyetekerwa Mike , Hu Shengliang , Knibbe Ruth , Chou Shulei 
Published: February 2024

AbstractNanoconfined polymer molecules exhibit profound transformations in their properties and behaviors. Here, we present the synthesis of a polymer‐in‐MOF single ion conducting solid polymer electrolyte, where polymer segments are partially confined within nanopores ZIF‐8 particles through Lewis acid‐base interactions for solid‐state sodium‐metal batteries (SSMBs). The unique nanoconfinement effectively weakens Na ion coordination with the anions, facilitating the Na ion dissociation from salt. Simultaneously, the well‐defined nanopores within ZIF‐8 particles provide oriented and ordered migration channels for Na migration. As a result, this pioneering design allows the solid polymer electrolyte to achieve a Na ion transference number of 0.87, Na ion conductivity of 4.01×10−4 S cm−1, and an extended electrochemical voltage window up to 4.89 V vs. Na/Na+. The assembled SSMBs (with Na3V2(PO4)3 as the cathode) exhibit dendrite‐free Na‐metal deposition, promising rate capability, and stable cycling performance with 96 % capacity retention over 300 cycles. This innovative polymer‐in‐MOF design offers a compelling strategy for advancing high‐performance and safe solid‐state metal battery technologies.
Sulphur‐Boosted Active Hydrogen on Copper for Enhanced Electrocatalytic Nitrate‐to‐Ammonia Selectivity
Authors: Xu Yue , Cheng Chuanqi , Zhu Jiewei , Zhang Bin , Wang Yuting , Yu Yifu 
Published: February 2024

AbstractElectrocatalytic nitrate reduction to ammonia is a promising approach in term of pollutant appreciation. Cu‐based catalysts performs a leading‐edge advantage for nitrate reduction due to its favorable adsorption with *NO3. However, the formation of active hydrogen (*H) on Cu surface is difficult and insufficient, leading to the significant generation of by‐product NO2−. Herein, sulphur doped Cu (Cu−S) is prepared via an electrochemical conversion strategy and used for nitrate electroreduction. The high Faradaic efficiency (FE) of ammonia (~98.3 %) and an extremely low FE of nitrite (~1.4 %) are achieved on Cu−S, obviously superior to its counterpart of Cu (FENH3: 70.4 %, FENO2−: 18.8 %). Electrochemical in situ characterizations and theoretical calculations indicate that a small amount of S doping on Cu surface can promote the kinetics of H2O dissociation to active hydrogen. The optimized hydrogen affinity validly decreases the hydrogenation kinetic energy barrier of *NO2, leading to an enhanced NH3 selectivity.
Multielectron Redox‐Bipolar Tetranitroporphyrin Macrocycle Cathode for High‐Performance Zinc‐Organic Batteries
Authors: Song Ziyang , Miao Ling , Duan Hui , Lv Yaokang , Gan Lihua , Liu Mingxian 
Published: February 2024

AbstractBipolar organics fuse the merits of n/p‐type redox reactions for better Zn‐organic batteries (ZOBs), but face the capacity plafond due to low density of active units and single‐electron reactions. Here we report multielectron redox‐bipolar tetranitroporphyrin (TNP) with quadruple two‐electron‐accepting n‐type nitro motifs and dual‐electron‐donating p‐type amine moieties towards high‐capacity‐voltage ZOBs. TNP cathode initiates high‐kinetics, hybrid anion–cation 10e− charge storage involving four nitro sites coordinating with Zn2+ ions at low potential and two amine species coupling with SO42− ions at high potential. Consequently, Zn||TNP battery harvests high capacity (338 mAh g−1), boosted average voltage (1.08 V), and outstanding energy density (365 Wh kg−1TNP). Moreover, the extended π‐conjugated TNP macrocycle achieves anti‐dissolution in electrolytes, prolonging the battery life to 50,000 cycles at 10 A g−1 with 71.6 % capacity retention. This work expands the chemical landscape of multielectron redox‐bipolar organics for state‐of‐the‐art ZOBs.
Formamidinium Lead Iodide‐Based Inverted Perovskite Solar Cells with Efficiency over 25 % Enabled by An Amphiphilic Molecular Hole‐Transporter
Authors: Zhang Huidong , Zhang Shuo , Ji Xiaoyu , He Jingwen , Guo Huanxin , Wang Songran , Wu Wenjun , Zhu Wei‐Hong , Wu Yongzhen 
Published: February 2024

AbstractFormamidinium lead iodide (FAPbI3) represents an optimal absorber material in perovskite solar cells (PSCs), while the application of FAPbI3 in inverted‐structured PSCs has yet to be successful, mainly owing to its inferior film‐forming on hydrophobic or defective hole‐transporting substrates. Herein, we report a substantial improvement of FAPbI3‐based inverted PSCs, which is realized by a multifunctional amphiphilic molecular hole‐transporter, (2‐(4‐(10H‐phenothiazin‐10‐yl)phenyl)‐1‐cyanovinyl)phosphonic acid (PTZ−CPA). The phenothiazine (PTZ) based PTZ−CPA, carrying a cyanovinyl phosphonic acid (CPA) group, forms a superwetting hole‐selective underlayer that enables facile deposition of high‐quality FAPbI3 thin films. Compared to a previously established carbazole‐based hole‐selective material (2‐(3,6‐dimethoxy‐9H‐carbazol‐9‐yl)ethyl)phosphonic acid (MeO−2PACz), the crystallinity of FAPbI3 is enhanced and the electronic defects are passivated by the PTZ−CPA more effectively, resulting in remarkable increases in photoluminescence quantum yield (four‐fold) and Shockley‐Read‐Hall lifetime (eight‐fold). Moreover, the PTZ−CPA shows a larger molecular dipole moment and improved energy level alignment with FAPbI3, benefiting the interfacial hole‐collection. Consequently, FAPbI3‐based inverted PSCs achieve an unprecedented efficiency of 25.35 % under simulated air mass 1.5 (AM1.5) sunlight. The PTZ−CPA based device shows commendable long‐term stability, maintaining over 90 % of its initial efficiency after continuous operation at 40 °C for 2000 hours.
Ultrathin Two‐Dimensional Porous Fullerene Membranes for Ultimate Organic Solvent Separation
Authors: Chen Xiaofang , Mu Yifang , Jin Chunxin , Wei Yayu , Hao Jinlin , Wang Huanting , Caro Jürgen , Huang Aisheng 
Published: February 2024

AbstractTwo‐dimensional (2D) materials with high chemical stability have attracted intensive interest in membrane design for the separation of organic solvents. As a novel 2D material, polymeric fullerenes (C60)∞ with distinctive properties are very promising for the development of innovative membranes. In this work, we report the construction of a 2D (C60)∞ nanosheet membrane for organic solvent separation. The pathways of the (C60)∞ nanosheet membrane are constructed by sub‐1‐nm lateral channels and nanoscale in‐plane pores created by the depolymerization of the (C60)∞ nanosheets. Attributing to ordered and shortened transport pathways, the ultrathin porous (C60)∞ membrane is superior in organic solvent separation. The hexane, acetone, and methanol fluxes are up to 1146.3±53, 900.4±41, and 879.5±42 kg ⋅ m−2 ⋅ h−1, respectively, which are up to 130 times higher than those of the state‐of‐the‐art membranes with similar dye rejection. Our findings demonstrate the prospect of 2D (C60)∞ as a promising nanofiltration membrane in the separation of organic solvents from macromolecular compounds such as dyes, drugs, hormones, etc.
Unveiling the mutual effects of hydroxyl and dibenzhydryl groups in α‐diimino‐nickel precatalysts for direct synthesis of polyethylene elastomers
Authors: Wang Xinyu , Qin Lidong , Mahmood Qaiser , Yuan Shifang , Wang Yizhou , Zou Song , Yuan Rongyan , Liang Tongling , Sun Wen‐Hua 
Published: February 2024

The properties and practical applications of polyethylene are closely associated with the polymer molecular weight, polydispersity, degree of branching, and the type of branches and its arrangement within microstructure. In this study, a set of structurally diverse unsymmetrical 1‐(2,6‐dibenzhydryl‐4‐hydroxylphenylimino)‐2‐(2,6‐(R)‐4‐(R1)phenylimino)acenaphthene‐nickel dibromide precatalysts (where Ni2Me [R = Me, R1 = H], Ni2Et [R = Et, R1 = H], Ni2iPr [R = iPr, R1 = H], Ni3Me [R, R1 = Me], Ni2Et,Me [R = Et, R1 = Me]) has been prepared and studied for ethylene polymerization. Molecular structure analysis of Ni2Me and Ni2Et complexes revealed distorted tetrahedral geometries at nickel. The polymerization activities are extremely high for all precatalysts upon activation with either EASC or MMAO aluminum reagents, a trend notably pronounced in the case of the EASC‐activated systems, entering activity in the range of 10 million g mol−1 h−1 at 30°C. The Ni2Me demonstrated exceptional performance at higher temperatures, achieving an activity of 2.4 × 106 g mol−1 h−1 at 100°C and generated high molecular weight polyethylene (Mw = 105 g mol−1) with narrow polymer dispersity across all reaction temperatures (Ð ≈ 1.5). High temperature 13C NMR spectra identified 97–142/1000C branches in resulting polyethylene, a feature significantly dependent on the reaction temperature. In terms of mechanical properties, stress–strain analysis indicated that polyethylene synthesized at lower temperatures displayed superior tensile strength compared with that produced at higher reaction temperatures, while a reverse trend was observed in strain recovery analysis. The high strain recovery (up to 72%) of these polyethylene highlights the characteristic properties of thermoplastic elastomers.
Synthesis of FePP@MoS2@Ni‐MOF composites for improving thermal and flame retardant safety properties of polyurea
Authors: Lin Jiayu , Hou Yongbo , Ding Lailong , Wang Yifan , Hu Jinhu , Dong Peisong , Wang Qin , Ma Mingliang 
Published: February 2024

AbstractPolyurea (PUA) is widely used as a coating in construction, tunnels, bridges, and other fields because of its excellent performance. However, its combustion emits toxic gases and smoke, hindering escape and posing potential fatality risks. Enhancing the flame retardancy of PUA is crucial for safety and expanding its applications. The synthesis of two‐dimensional FePP nanosheets was reported in this paper, employing the solvothermal method, followed by the sequential growth of MoS2 and Ni‐MOF to establish a multilayer composite structure. The elemental composition and morphology of the synthesized FePP@MoS2@Ni‐MOF flame retardants were characterized and analyzed. The flame retardant properties of polyurea composites with varying amounts of FePP@MoS2@Ni‐MOF were investigated using Cone calorimeter tests. The results showed that the prepared flame retardant had good thermal stability and significantly improved fire safety properties. The PUA/FePP@MoS2@Ni‐MOF 3.0 composite exhibited notable improvements compared to pure PUA. Specifically, the peak heat release rate, total heat release rate and peak smoke production rate were reduced by 39.76%, 29.33% and 17.86%, respectively, while total smoke production and total CO production (COP) were reduced by 21.30% and 54.47%. This study provides new insights and experimental basis for the technological development of novel flame retardant coating materials.