bluuebunny/crossref_metadata_2025_split huggingface dataset:
Observation of Temperature Dependent Atomic Off‐Centering in High Entropy Cubic I‐V‐VI2/IV‐VI Alloys with Ultralow Thermal Conductivity
Authors: Zhu Huaxing , Liu Liyuan , Yang Xinyi , Ji Xiao , Jana Subhajit , Zhang Bin , Wang Guiwen , Wu Yimin A. , Redshaw Carl , Wang Xiyang , Wang Jun‐Zhong , Lu Xu , Zhou Xiaoyuan 
Published: October 2024

AbstractI‐V‐VI2/IV‐VI compounds and their alloys are of great interest in the field of thermoelectricity due to their unique high‐symmetry crystal structures and unexpectedly low thermal conductivity, which is closely related to the off‐centering effect in the cubic lattice. However, the influence of such an effect on thermal transport across different temperatures remains largely elusive. Herein, using in situ pair distribution function analysis, it is directly observed that the sustained low thermal conductivity in n‐type (AgBiSe2)1‐x(PbS)x alloys stem from the dynamic intelligent switching of local structural distortions over wide temperature windows for the first time. Under ambient conditions, the local off‐centering of central atoms dominates the phonon scattering, while at high temperatures, the geometrical configuration of the ligands predominantly modulates thermal conductivity due to lattice expansion and diminished cation off‐centering. The complementary synergistic effect leads to an ultralow thermal conductivity (<0.64 W m−1 K−1) for (AgBiSe2)0.65(PbS)0.35 across the entire working temperature range and yields a lattice thermal conductivity of only 0.33 W m−1 K−1 at 800 K approaching the glass limit. Atomic‐scale insights into the thermal conductivity mechanism of I‐V‐VI2/IV‐VI alloys provide important guidance for designing high‐efficiency thermoelectric materials over broad operational temperature ranges.
In Situ X‐Ray Photoelectron Spectroscopy Study of Atomic Layer Deposited Cerium Oxide on SiO2: Substrate Influence on the Reaction Mechanism During the Early Stages of Growth
Authors: Morales Carlos , Gertig Max , Kot Małgorzata , Alvarado Carlos , Schubert Markus Andreas , Zoellner Marvin Hartwig , Wenger Christian , Henkel Karsten , Flege Jan Ingo 
Published: October 2024

AbstractThermal atomic layer deposition (ALD) of cerium oxide using commercial Ce(thd)4 precursor and O3 on SiO2 substrates is studied employing in‐situ X‐ray photoelectron spectroscopy (XPS). The system presents a complex growth behavior determined by the change in the reaction mechanism when the precursor interacts with the substrate or the cerium oxide surface. During the first growth stage, non‐ALD side reactions promoted by the substrate affect the growth per cycle, the amount of carbon residue on the surface, and the oxidation degree of cerium oxide. On the contrary, the second growth stage is characterized by a constant growth per cycle in good agreement with the literature, low carbon residues, and almost fully oxidized cerium oxide films. This distinction between two growth regimes is not unique to the CeOx/SiO2 system but can be generalized to other metal oxide substrates. Furthermore, the film growth deviates from the ideal layer‐by‐layer mode, forming micrometric inhomogeneous and defective flakes that eventually coalesce for deposit thicknesses above 10 nm. The ALD‐cerium oxide films present less order and a higher density of defects than films grown by physical vapor deposition techniques, likely affecting their reactivity in oxidizing and reducing conditions.
Dual NHC/HAT‐Promoted Esterification to Access α‐Aryl Glycines
Authors: McGill Matthew J. , Wayment Adam X. , Schull Cullen R. , Scheidt Karl A. 
Published: October 2024

Abstractα‐Aryl glycines are among the most important carbonyl compounds, particularly as nonproteinogenic α‐amino acids present in many pharmacophores. As such, many strategies have been developed to access this motif, but direct carboxylation methods remain underdeveloped. Herein, we employ a dual NHC/HAT catalysis strategy to access 2‐azaallyl radicals, which subsequently couple with in situ‐generated ester azolium radical intermediates. Base‐mediated collapse of the ensuing tetrahedral intermediate liberates the NHC catalyst and benzophenone‐protected aryl glycine. This methodology was employed to esterify a variety of aryl‐substituted glycine derivatives, as well as allylic and benzylic sites. Mechanistic studies reveal that this radical process operates under both oxidative and reductive quenching cycles, while preliminary experiments employing a chiral NHC and Lewis acid additive demonstrate modest enantioselectivity.
Achieving High Ferroelectric Polarization in Ultrathin BaTiO3 Films on Si
Authors: Bagul Pratik , Han Han , Lagrain Pieter , Sergeant Stefanie , Hoflijk Ilse , Serron Jill , Richard Olivier , Conard Thierry , Van Houdt Jan , De Wolf Ingrid , McMitchell Sean R. C. 
Published: October 2024

AbstractFerroelectrics show promise for low‐power, non‐volatile memory technologies. However, material challenges in state‐of‐the‐art ferroelectric hafnates and the high coercive fields required limit their application in devices. Scaling of other candidate materials is challenging, often requiring epitaxial single‐crystalline growth using specialised substrates. Here, ferroelectricity is demonstrated in polycrystalline BaTiO3 films at 10 nm thickness on Si substrates. They exhibit the highest reported remnant polarization for polycrystalline layers, 13 µC cm−2, a value that is competitive with the epitaxial BaTiO3 state‐of‐the‐art. This is realised by introducing a novel conductive oxygen barrier, platinum silicide, which also offers strain enhancement of the ferroelectricity. Moreover, it is demonstrated that these layers can be positioned in device‐like stacks whilst maintaining ferroelectricity at 10 nm. The findings of polycrystalline perovskite ferroelectric growth in stack configurations akin to those in production flows paves the way for high performance perovskites with greater material complexity.
Self‐Induced Bi‐interfacial Modification via Fluoropyridinic Acid For High‐Performance Inverted Perovskite Solar Cells
Authors: Li Kunpeng , Zhu Yong , Chang Xiong , Zhou Mengni , Yu Xixi , Zhao Xinlong , Wang Tao , Cai Zhongming , Zhu Xing , Wang Hua , Chen Jiangzhao , Zhu Tao 
Published: October 2024

AbstractThe uncontrolled crystallization of perovskite generates a significant number of internal and interfacial defects, posing a major challenge to the performance of perovskite solar cells (PSCs). In this paper, a novel bi‐interfacial modification strategy utilizing 5‐fluoropyridinic acid (FPA) is proposed to modulate crystal growth and provide defect passivation. It is demonstrated that FPA is self‐deposited at both the top and bottom interfaces of perovskite films during thermal annealing. The CO and N functional groups in FPA serve as chelating agents, binding closely to uncoordinated Pb2+/Pb clusters, thereby passivating defects and reducing charge recombination at the interfaces. The strong chemical interactions between FPA and Pb further stabilize the Pb‐I framework, promoting the formation of high‐quality perovskite films, as confirmed by in situ photoluminescence measurements. Consequently, the modified inverted PSCs achieved an exceptional power conversion efficiency (PCE) of 25.37%. Moreover, the devices retained over 93.17% of initial efficiency after 3000 h of continuous illumination under one‐sun equivalent conditions in a nitrogen atmosphere. This paper presents a promising pathway for enhancing the performance and stability of inverted PSCs through a self‐induced bi‐interfacial modification approach.
The Effects of International Orientation on the Dimensions of the Environmental Performance of Agri‐Food Companies: A Chilean Perspective
Authors: Barbosa Marcelo Werneck 
Published: October 2024

ABSTRACTLike other Latin American economies, Chile has significantly increased its presence in international agriculture markets. Agricultural commodities are primarily developed within specialized exporters or multinational enterprises and exported to several different countries. In Chile, the fruit sector accounts for almost half of total exports. Internationally oriented companies explore business opportunities in foreign markets and invest adequate resources in international operations. In addition, more internationally oriented companies could be more inclined to invest in green practices due to external pressures and, consequently, achieve higher environmental performance. In this context, environmental performance is related to the extent to which available natural resources are protected during the production, delivery, and consumption of agricultural products. To the best of our knowledge, there is scattered evidence of the relationship between international orientation and the environmental performance of agri‐food companies, especially in Latin America. Grounded on the natural resources‐based view theory, this study assessed the effects of environmental collaboration on five dimensions of environmental performance (greenhouse gas emissions, energy efficiency, food loss and waste, food quality and safety, and water footprint management) in agri‐food companies with a survey with Chilean firms. Data were analyzed using the partial least square—structural equation modeling. We found that international orientation positively influences all five dimensions of environmental performance. Our study identified that the dimension most impacted by international orientation is water footprint management, and the least impacted is food quality and safety. With the aid of multi‐group analysis, we concluded that there are no significant differences in these relationships between micro/small and medium/large companies. A significant difference was observed in food loss and waste between fruit and nonfruit producers. We expect the outcomes of this study will support exporting‐related decisions and public policies in Latin America.
Spontaneous Generation of Alkoxide Radical from Alcohols on Microdroplets Surface
Authors: Fang Ye‐Guang , Li Xiaoxu , Yuan Chang , Li Xiaojiao , Yuan Xu , Zhang Dongmei , Zhang Xinxing , Zhu Chongqin , Fang Wei‐Hai 
Published: October 2024

AbstractWater microdroplets have been demonstrated to exhibit extraordinary chemical behaviors, including the abilities to accelerate chemical reactions by several orders of magnitude and to trigger reactions that cannot occur in bulk water. One of the most striking examples is the spontaneous generation of hydroxyl radical from hydroxide ions. Alcohols and alkoxide ions, being structurally similar to water and hydroxide ions, might exhibit similar behavior on microdroplets. Here, we report the spontaneous generation of alkoxide radicals from alcohols (RCH2OH) in aqueous microdroplets through quantum chemical calculations, quantum mechanical/molecular mechanical (QM/MM) molecular dynamics (MD) simulations, ab initio MD simulations, and mass spectrometry. Our results show that an electric field (EF) on the order of 10−1 V/Å and partial solvation at the air‐water interface jointly promote the dissociation of RCH2OH into RCH2O− and H3O+ ions. QM/MM MD simulations indicate that RCH2O− can be ionized to produce RCH2O⋅ radicals on the microdroplet surface. Furthermore, partial solvation and the EF collaboratively catalyze the isomerization of the RCH2O⋅ radical into a more stable tautomer, R⋅CHOH. This study highlights the molecular mechanisms underlying the widespread generation of radicals at the microdroplet surface and provides insights into the importance of fundamental alcohol chemistry in the atmosphere.
Rapid Surface Reconstruction of Amorphous‐Crystalline NiO for Industrial‐Scale Electrocatalytic PET Upcycling
Authors: Ding Wei , Ji Dongxiao , Wang Kangkang , Li Yinghui , Luo Qingliang , Wang Rongwu , Li Linlin , Qin Xiaohong , Peng Shengjie 
Published: October 2024

AbstractThe conversion of plastic waste into valuable chemicals through innovative and selective nano‐catalysts offers significant economic benefits and positive environmental impacts. However, our current understanding of catalyst design capable of achieving industrial‐grade current densities is limited. Herein, we develop a self‐supported amorphous‐crystalline NiO electrocatalyst for the electrocatalytic upcycling of polyethylene terephthalate (PET) into formate and hydrogen fuel. The catalyst achieves an industrial current density of over 1 A cm−2 at 1.5 V vs. RHE, with an 80 % Faradaic efficiency and a formate production rate of 7.16 mmol cm−2 h−1. In situ Raman spectroscopy, X‐ray absorption spectroscopy, and density functional theory calculations reveal that the rapid transformation of amorphous‐crystalline NiO into γ‐NiOOH at the amorphous‐crystalline interface provides a thermodynamic advantage for formate desorption, leading to the high activity required for industrial applications, which is challenging to achieve for fully crystalline NiO. A techno‐economic analysis indicates that recycling waste PET using this catalytic process could generate a profit of $582 per ton. This work presents a cost‐effective and highly efficient approach to promoting the sustainable utilization of waste PET.
Bimagnetic Core/Shell Nanoprobes with Tunable Exchange Coupling for High Resolution and Sensitive Magnetic Particle Imaging
Authors: Li Qilong , Li Changjian , Wang Yueqi , Li Miaomiao , Liang Zeyu , Wang Qiyue , Wang Bingzhe , Huang Canyu , Tian Jie , Li Fangyuan , Ling Daishun 
Published: October 2024

AbstractMagnetic particle imaging (MPI) has demonstrated versatile applications in biomedicine, including tumor imaging, cell tracking, and image‐guided hyperthermia. Despite these advancements, the prevalent use of clinically approved tracers has posed limitations on MPI′s resolution and sensitivity. In this study, we engineered a bimagnetic core/shell nanocrystals (BMCS) tailored for MPI by optimizing the heterostructure and modulating the exchange coupling effect between the two magnetic components. The resulting BMCS exhibited remarkably heightened susceptibility and magnetization while maintaining low coercivity, thereby substantially improved both MPI resolution and sensitivity compared to conventional tracers such as VivoTrax. At an equivalent mass concentration, BMCS demonstrated a notable 5.08‐fold increase in signal intensity and achieved an unprecedentedly high resolution down to 1 mm. The excellent MPI performance contributes to high resolution MPI and the sensitive detection of orthotopic colorectal cancer in mice. The design strategy employed in BMCS, centered on the exchange coupling effect, introduces an efficacious approach for the development of high performance MPI tracers.
Synthesis of unsaturated polyester resin with phosphate based flame retardants and investigating their thermal, mechanical, and flame‐retardant properties
Authors: Karabulut Deniz , Subaşı Çağlar , Çelebi Hande , Üreyen Mustafa E. , Seyhan Abdullah T. , Özmen Fadime K. , Tezgören Yılmaz , Tezgören Emre , Pelen Özge K. , Ersöz Serap 
Published: October 2024

AbstractThis study reports the effects of triethyl phosphate (TEP), diphenyl cresyl phosphate (DPK), and the combined amount of aluminum hydroxide (ATH) with TEP at different weight ratios as flame retardant (FR) fillers on the physical, structural, mechanical, and flammable properties of unsaturated polyester resin (UPR). The synthesis of unsaturated polyester chains based on maleic anhydride (MA), phthalic anhydride (PA), propylene glycol (PG), ethylene glycol (EG), and diethylene glycol (DEG) was conducted in a prototype stainless steel reactor at 200 ± 5°C. Unsaturated polyester chains confirmed by nuclear magnetic resonance (1H‐NMR) were diluted with styrene monomer to create ready‐to‐apply UPR. Viscosity tests were carried out on the samples that were prepared by mixing FR fillers with UPR at different loading rates without adding accelerator and initiator. Reactivity tests of the cross‐linking initialized UPR suspensions unveiled that FR fillers prolonged the peak time and lowered the peak exotherm temperature. FR filler‐induced alterations in the chemical structure of the cured samples were then monitored using Fourier transform infrared spectroscopy (FTIR). Flexural, hardness, tensile, impact, and heat distortion temperature (HDT) tests were performed on the solid samples with and without the FR fillers. The limiting oxygen index (LOI) of the samples was also examined, and TEP was eventually found to work better than DPK for the corresponding samples involved. Therefore, the samples produced by blending UPR with TEP as well as with the combined amount of TEP and ATH at different weight ratios were characterized through vertical burning (UL‐94), cone calorimeter, and smoke density tests. As a result, it was revealed that TEP operates very well on the gas phase, despite being incompetent on the condensed phase during combustion, whereas ATH acts on both gas and condensed phases in an equal mean. Furthermore, thermal degradation behavior of the samples with and without the FR fillers and their exhaust gas products were investigated using a thermogravimetric analyzer (TGA) coupled with a Fourier transform infrared spectroscopy (TG‐FTIR). All the findings considering the presence of FR fillers were then evaluated and discussed in a brief manner to sort out the best combination of the additives for the UPR resin.
Fractional‐order fast terminal sliding mode trajectory tracking control of quadrotor UAV based on finite time disturbance observer
Authors: Zhou Zhen , Cui Ruogeng , Yu Haiyang , Ge Jiajia , Zhou Ning 
Published: October 2024

AbstractIn this paper, a novel trajectory tracking control problem of the quadrotor UAV is addressed, which considers the system uncertainties and unknown external disturbances meanwhile. To ensure a rapid convergence rate of the states, fast terminal sliding mode control (FTSMC) algorithm is improved combining with a fractional order method. In addition, finite‐time observer is designed to handle disturbances and enhance the robustness of the system. The closed‐loop finite‐time stability of the quadrotor UAV system is established using Lyapunov theory in accordance with the novel control law. To evaluate the effectiveness of our proposed strategy, various simulations under different scenarios are conducted respectively. These simulation results clearly demonstrate the superiority of our control scheme, which we refer to as fractional‐order fast terminal sliding mode control (FOFTSMC).
The contribution of extracellular RNA and its derived biomaterials in disease management
Authors: Wei Yu , Wang Zhangyi , Qin Zixuan , Wan Qianqian , Li Yutao , Tay Franklin R. , Wang Chenyu , Zhang Tong , Niu Lina 
Published: October 2024

AbstractThe RNA found in the circular system is known as extracellular RNA (exRNA). This kind of RNA has been found to play a biological role similar to that of a messenger. They can be used as indicators of disease status or the physiological health of an organism. A large number of RNA‐based biomaterials have been developed by simulating the biological function and structure of natural RNA molecules. The structural programmability of RNA‐based biomaterials provides the spur for scientists to pioneer new approaches in disease detection and prevention. Nevertheless, the link between exRNA function and the design of RNA‐based biomaterials has not been fully understood. Understanding the biological structure and function of exRNA will contribute to the clinical translation of this novel biotechnology. The present review discusses the research progress associated with exRNA and their derivatives to bridge the gap between natural exRNA and RNA‐based biomaterials.
Effect of the sintering temperature on the electrical properties of Y–Al‐doped ZnO varistors
Authors: Wang Lei , Zhang Hang , Zhang Kexin , Shen Yubo , Qu Limin , Yin Yue , Meng Pengfei , Guo Jingke 
Published: October 2024

AbstractTo investigate the relationship between the electrical properties of Y–Al doped ZnO varistors and sintering temperature, in this study, we measured the voltage–current characteristics and electrical performance parameters of samples sintered at –. Scanning electron microscopy observations revealed that as the sintering temperature increased, the grain size grew significantly, leading to a reduction in voltage gradient. Through characteristic testing, X‐ray diffraction and energy dispersive X‐ray spectroscopy analysis, it was found that the increase in sintering temperature promoted the formation of interface negative charge and defect reactions by , increasing and ; tends to aggregate in the grain area, further increasing ; the volatilization of gradually increases, causing a decrease in ; the first increases and then decreases with the changes in and , resulting in a U‐shaped variation characteristic of the nonlinear coefficient and leakage current density. At a sintering temperature of , the performance of ZnO varistors is optimal.
Using Soil Sensors to Assess Soil Salinity
Authors: Pandit Shailesh , Clay David E. 
Published: October 2024

AbstractThis article is reproduced from Chapter 6 of the new book, Salinity and Sodicity: A Growing Global Challenge to Food Security, Environmental Quality and Soil Resilience, in a slightly modified form. The book is available for purchase from Wiley.com or Amazon.com. The article covers the use of electromagnetic (EM) sensors for measuring apparent electrical conductivity (ECa). In the field, electrical conductivity (EC) can be measured by two primary approaches: physical contact and electromagnetic (EM) induction. With physical contact, a current is injected into the soil, and the detector measures the resulting voltage. An EM meter does not make direct contact but uses a coil to produce an EM field. A sensor then measures the soil‐induced changes to the original EM field. Both types of sensors measure the ECa, which is different from laboratory‐derived EC values. When using ECa sensors, it is important to remember that they are sensitive to many factors, including salinity, soil moisture, bulk density, soil texture, and temperature. The purpose of this article is to provide an overview on the use of EM sensors to provide examples on the use of these sensors in the field. Earn 1.5 CEUs in Soil & Water Management by reading this article and taking the quiz at https://web.sciencesocieties.org/Learning‐Center/Courses.