bluuebunny/crossref_metadata_2025_split huggingface dataset:
Microwave Doping of Sulfur and Iron in β12 Borophene
Authors: Li Zhixuan , Guan Xinwei , Pandey Gaurav , Chahal Sumit , Bandyopadhyay Arkamita , Awasthi Kamalendra , Kumar Prashant , Vinu Ajayan 
Published: February 2024

AbstractBorophene, a 2D material exhibiting unique crystallographic phases like the anisotropic atomic lattices of β12 and X3 phases, has attracted considerable attention due to its intriguing Dirac nature and metallic attributes. Despite surpassing graphene in electronic mobility, borophene's potential in energy storage and catalysis remains untapped due to its inherent electrochemical and catalytic limitations. Elemental doping emerges as a promising strategy to introduce charge carriers, enabling localized electrochemical and catalytic functionalities. However, effective doping of borophene has been a complex and underexplored challenge. Here, an innovative, one‐pot microwave‐assisted doping method, tailored for the β12 phase of borophene is introduced. By subjecting dispersed β12 borophene in dimethylformamide to controlled microwave exposure with sulfur powder and FeCl3 as doping precursors, S‐ and Fe doping in borophene can be controlled. Employing advanced techniques including high‐resolution transmission electron microscopy, Raman spectroscopy, and X‐ray photoelectron spectroscopy, confirm successful sulfur and iron dopant incorporation onto β12 borophene is confirmed, achieving doping levels of up to 11 % and 13 %, respectively. Remarkably, S‐ and Fe‐doped borophene exhibit exceptional supercapacitive behavior, with specific capacitances of 202 and 120 F g−1, respectively, at a moderate current density of 0.25 A g−1.
Boosting Bulk Oxygen Transport with Accessible Electrode Nanostructure in Low Pt Loading PEMFCs
Authors: Cheng Xiaojing , Zhou Jinghao , Luo Liuxuan , Shen Shuiyun , Zhang Junliang 
Published: February 2024

AbstractDespite the high potential for reducing carbon emissions and contributing to the future of energy utilization, polymer electrolyte membrane fuel cells (PEMFCs) face challenges such as high costs and sluggish oxygen transport in cathode catalyst layers (CCLs). In this study, the impact of pore size distribution on bulk oxygen transport behavior is explored by introducing nano calcium carbonate of varying particle sizes for pore‐forming. Physicochemical characterizations for are employed to examine the electrode structure, while in situ electrochemical measurements are used to scrutinize bulk oxygen transport resistance, effective oxygen diffusivity () and fuel cell performance. Additionally, the CCLs are constructed with aid of Lattice Boltzmann method (LBM) simulations and for CCLs with different pore size distribution are calculated. The findings reveal that initially increases and then decreases as the most probable pore size increases. A “sphere‐pipe” model is proposed to describe practical bulk oxygen transport in CCLs, highlighting the significant role of not only the pore size of secondary pores but also the number of primary pores in bulk oxygen transport.
Absorption‐Based Rapid Acquisition of Single‐Molecule Kinetics from Unstable Enzymes in Microdroplets
Authors: Zheng Yuhao , Chen Jinghu , Wang Xinyi , Xu Dou , Sun Hao , Huang Zongxiong , Wang Pengcheng , Fang Yimin 
Published: February 2024

AbstractSingle‐molecule catalysis reflects the heterogeneity of each molecule, providing a unique insight into the complex catalytic mechanism through the statistics of stochastic individuals. However, the present study methods for single‐molecule catalysis are either complicated or have low throughput, limiting their rapid acquisition of single‐molecule reaction kinetics with statistical significance. Here, a label‐free imaging method is developed for the study of single‐molecule catalysis in microdroplets with high throughput based on the absorption of the reaction molecules. A wide distribution of the catalytic reaction rate constant value of 238–2026 molecules s−1 is observed from 68 single enzymes. Interestingly, an exponential decayed distribution of the enzyme activity can be clearly observed due to the rapid denaturation of the enzymes. The denaturation mechanism of the Horse Radish Peroxidase (HRP) enzyme is clarified. It is revealed that the denaturation of each enzyme goes through a gradual decay rather than a truncated turn‐off process from a single molecule point of view. This absorption‐based method can be applied to most of the catalytic reactions with high throughput, which offers an indispensable route for the rapid statistical analysis of various single‐molecule catalytic reactions, making it particularly suitable for the acquisition of catalytic kinetics from highly unstable enzymes.
Evolution of Metal Tellurides for Energy Storage/Conversion: From Synthesis to Applications
Authors: Ahmad Muhammad , Nawaz Tehseen , Hussain Iftikhar , Meharban Faiza , Chen Xi , Khan Shahid Ali , Iqbal Sarmad , Rosaiah P. , Ansari Mohd Zahid , Zoubi Wail Al , Zhang Kaili 
Published: February 2024

AbstractMetal telluride (MTe)‐based nanomaterials have emerged as a potential alternative for efficient, highly conductive, robust, and durable electrodes in energy storage/conversion applications. Significant progress in the material development of MTe‐based electrodes is well‐sought, from the synthesis of its nanostructures, integration of MTes with supporting materials, synthesis of their hybrid morphologies, and their implications in energy storage/conversion systems. Herein, an extensive exploration of the recent advancements and progress in MTes‐based nanomaterials is reviewed. This review emphasizes elucidating the fundamental properties of MTes and providing a systematic compilation of its wet and dry synthesis methods. The applications of MTes are extensively summarized and discussed, particularly, in energy storage and conversion systems including batteries (Li‐ion, Zn‐ion, Li‐S, Na‐ion, K‐ion), supercapacitor, hydrogen evolution reaction (HER), oxygen evolution reaction (OER), oxygen reduction reaction (ORR), and CO2 reduction. The review also emphasizes the future prospects and urgent challenges to be addressed in the development of MTes, providing knowledge for researchers in utilizing MTes in energy storage and conversion technologies.
Near‐Infrared Dual‐Modal Sensing of Force and Temperature in Total Knee Replacement Using Mechanoluminescent Phosphor of Sr3Sn2O7: Nd, Yb
Authors: Li Wenhao , Wang Sikai , Jin Minyu , Wang Lu , Nan Jinlong , Wang Ci , Xiong Puxian , Hu Qing Miao , Liu Lu , Ren Jing , Zhang Jianzhong 
Published: February 2024

AbstractKnee replacement surgery confronts challenges including patient dissatisfaction and the necessity for secondary procedures. A key requirement lies in dual‐modal measurement of force and temperature of artificial joints during postoperative monitoring. Here, a novel non‐toxic near‐infrared (NIR) phosphor Sr3Sn2O7:Nd, Yb, is designed to realize the dual‐modal measurement. The strategy is to entail phonon‐assisted upconversion luminescence (UCL) and trap‐controlled mechanoluminescence (ML) in a single phosphor well within the NIR biological transmission window. The phosphor is embedded in medical bone cement forming a smart joint in total knee replacements illustrated as a proof‐of‐concept. The sensing device can be charged in vitro by a commercial X‐ray source with a safe dose rate for ML, and excited by a low power 980 nm laser for UCL. It attains impressive force and temperature sensing capabilities, exhibiting a force resolution of 0.5% per 10 N, force detection threshold of 15 N, and a relative temperature sensitive of up to 1.3% K−1 at 309 K. The stability against humidity and thermal shock together with the robustness of the device are attested. This work introduces a novel methodological paradigm, paving the way for innovative research to enhance the functionality of artificial tissues and joints in living organisms.
Optical Properties Prediction for Red and Near‐Infrared Emitting Carbon Dots Using Machine Learning
Authors: Tuchin Vladislav S. , Stepanidenko Evgeniia A. , Vedernikova Anna A. , Cherevkov Sergei A. , Li Di , Li Lei , Döring Aaron , Otyepka Michal , Ushakova Elena V. , Rogach Andrey L. 
Published: February 2024

AbstractFunctional nanostructures build up a basis for the future materials and devices, providing a wide variety of functionalities, a possibility of designing bio‐compatible nanoprobes, etc. However, development of new nanostructured materials via trial‐and‐error approach is obviously limited by laborious efforts on their syntheses, and the cost of materials and manpower. This is one of the reasons for an increasing interest in design and development of novel materials with required properties assisted by machine learning approaches. Here, the dataset on synthetic parameters and optical properties of one important class of light‐emitting nanomaterials – carbon dots are collected, processed, and analyzed with optical transitions in the red and near‐infrared spectral ranges. A model for prediction of spectral characteristics of these carbon dots based on multiple linear regression is established and verified by comparison of the predicted and experimentally observed optical properties of carbon dots synthesized in three different laboratories. Based on the analysis, the open‐source code is provided to be used by researchers for the prediction of optical properties of carbon dots and their synthetic procedures.
Cell Membrane Perforation: Patterns, Mechanisms and Functions
Authors: Zhu Xinran , Shi Zhifeng , Mao Ying , Lächelt Ulrich , Huang Rongqin 
Published: February 2024

AbstractCell membrane is crucial for the cellular activities, and any disruption to it may affect the cells. It is demonstrated that cell membrane perforation is associated with some biological processes like programmed cell death (PCD) and infection of pathogens. Specific developments make it a promising technique to perforate the cell membrane controllably and precisely. The pores on the cell membrane provide direct pathways for the entry and exit of substances, and can also cause cell death, which means reasonable utilization of cell membrane perforation is able to assist intracellular delivery, eliminate diseased or cancerous cells, and bring about other benefits. This review classifies the patterns of cell membrane perforation based on the mechanisms into 1) physical patterns, 2) biological patterns, and 3) chemical patterns, introduces the characterization methods and then summarizes the functions according to the characteristics of reversible and irreversible pores, with the aim of providing a comprehensive summary of the knowledge related to cell membrane perforation and enlightening broad applications in biomedical science.
Abnormal Thickness‐Dependent Thermal Transport in Suspended 2D PdSe2
Authors: Li Meilin , Sun Huanhuan , Liu Chenhan , Zhou Jun , Zhang Gang , Zhang Lifa , Zhao Yunshan 
Published: February 2024

AbstractResearch on 2D materials originally focused on the highly symmetrical materials like graphene, h‐BN. Recently, 2D materials with low‐symmetry lattice such as PdSe2 have drawn extensive attention, due to the interesting layer‐dependent bandgap, promising mechanical properties and excellent thermoelectric performance, etc. In this work, the phonon thermal transport is studied in PdSe2 with a pentagonal fold structure. The thermal conductivity of PdSe2 flakes with different thicknesses ranging from few nanometers to several tens of nanometers is measured through the thermal bridge method, where the thermal conductivity increases from 5.04 W mk−1 for 60 nm PdSe2 to 34.51 W mk−1 for the few‐layer one. The atomistic modelings uncover that with the thickness thinning down, the lattice of PdSe2 becomes contracted and the phonon group velocity is enhanced, leading to the abnormal increase in the thermal conductivity. And the upshift of the optical phonon modes contributes to the increase of the thermal conductivity as well by creating less acoustic phonon scattering as the thickness reduces. This study probes the interesting abnormal thickness‐dependent thermal transport in 2D materials, which promotes the potential thermal management at nanoscale.
Biomass‐Derived Carbon Quantum Dots Chemical Bonding with Sn‐Doped Bi2O2CO3 Endowed Fast Carriers’ Dynamics and Stabilized Oxygen Vacancies for Efficient Decontamination of Combined Pollutants
Authors: Zhu Tingting , Yao Zuofang , Pan Jinghui , Hu Fengtao , Zhang Shiming , Fan Songyu , Xing Chenchen , Yu Zebin , Wang Shuangfei , Hou Yanping 
Published: February 2024

AbstractSurface defects on photocatalysts could promote carrier separation and generate unsaturated sites for chemisorption and reactant activation. Nevertheless, the inactivation of oxygen vacancies (OVs) would deteriorate catalytic activity and limit the durability of defective materials. Herein, bagasse‐derived carbon quantum dots (CQDs) are loaded on the Sn‐doped Bi2O2CO3 (BOC) via hydrothermal procedure to create Bi─O─C chemical bonding at the interface, which not only provides efficient atomic‐level interfacial electron channels for accelerating carriers transfer, but also enhances durability. The optimized Sn‐BOC/CQDs‐2 achieves the highest photocatalytic removal efficiencies for levofloxacin (LEV) (88.7%) and Cr (VI) (99.3%). The elimination efficiency for LEV and Cr (VI) from the Sn‐BOC/CQDs‐2 is maintained at 55.1% and 77.0% while the Sn‐BOC is completely deactivated after four cycle tests. Furthermore, the key role of CQDs in stabilization of OVs is to replace OVs as the active center of H2O and O2 adsorption and activation, thereby preventing reactant molecules from occupying OVs. Based on theoretical calculations of the Fukui index and intermediates identification, three possible degradation pathways of LEV are inferred. This work provides new insight into improving the stability of defective photocatalysts.
Fe‐Doped Ceria‐Based Ceramic Cathode for High‐Efficiency CO2 Electrolysis in Solid Oxide Electrolysis Cell
Authors: Zhang Lijie , Jiang Yunan , Zhu Kang , Shi Nai , Rehman Zohaib Ur , Peng Ranran , Xia Changrong 
Published: February 2024

AbstractIn the quest for sustainable energy solutions, solid oxide electrolysis cell (SOEC) emerges as a key technology for converting CO2 into fuels and valuable chemicals. This work focuses on pure ceramic FexSm0.2Ce0.8O2‐δ (xFe‐SDC) as the fuel electrodes, and Sr‐free ceria‐based ceramic electrodes can be successfully constructed for x ≤ 0.05. The incorporation of Fe into the ceria lattice increases the oxygen vacancy concentration and promotes the formation of catalytic sites crucial for the CO2 reduction reaction (CO2RR). Density functional theory calculations indicate that Fe enhances electrochemical performance by decreasing the CO2RR energy barrier and facilitating oxygen ion diffusion. At 800 °C and 1.5 V, single cells with 0.05Fe‐SDC cathodes manifest attractive performance, attaining current densities of −1.98 and −2.26 A cm−2 under 50% CO2/CO and pure CO2 atmospheres, respectively. These results suggest the great potential of xFe‐SDC electrodes as promising avenues for high‐performance fuel electrodes in SOEC.
Do you need to chew? A case report on dogs’ behavioural needs
Authors: Uccheddu Stefania , Acquesta Stefania , Furlanello Tommaso 
Published: February 2024

AbstractA 2‐year‐old chihuahua dog exhibited recurrent mounting episodes toward both known and unknown individuals. The findings from both the physical and blood tests were unremarkable. After ruling out other physical and psychological diseases, displacement behaviour was suspected. Occurrences of mounting behaviour might sometimes be due to conditions unrelated to reproduction. As such, neutering is only advised after a precise diagnosis, and would not have been helpful in this particular situation. Chewing was used as a major activity alternative to provide the dog with an adequate behavioural activity.
Bio‐based materials for solar cells
Authors: Miettunen Kati , Hadadian Mahboubeh , García Joaquín Valdez , Lawrynowicz Alicja , Akulenko Elena , Rojas Orlando J. , Hummel Michael , Vapaavuori Jaana 
Published: February 2024

AbstractPlant‐based materials are emerging as an alternative to conventional components in advanced energy applications. Among these, energy harvesting from sunlight is highly attractive and, in fact, represents the fastest growing energy technology. This review addresses the broad field of solar cell science since plant‐based components can be utilized in almost all solar technologies, and in certain photovoltaic technologies, they can fulfill most of the roles in photovoltaic devices. There is strengthened recent interest in developing sustainable materials options as well as new functionalities being developed for bio‐based materials. This contribution describes the different options for plant‐derived materials in photovoltaics and discusses their deployment feasibility. We focus on performance, lifetime, and embedded energy, all of which are critical to achieve—economically and sustainably–competitive photovoltaic devices. We address the tendency in the current literature for greenwashing, given that not all plant‐based solutions are environmentally‐sound at the device level. On the other hand, plant‐based materials can offer functionalities that cannot be reached with currently used materials.This article is categorized under:
Sustainable Energy > Solar Energy
Emerging Technologies > Materials
Sustainable Energy > Bioenergy
Knowledge graph‐driven data processing for business intelligence
Authors: Dey Lipika 
Published: February 2024

AbstractWith proliferation of Big Data, organizational decision making has also become more complex. Business Intelligence (BI) is no longer restricted to querying about marketing and sales data only. It is more about linking data from disparate applications and also churning through large volumes of unstructured data like emails, call logs, social media, News, and so on in an attempt to derive insights that can also provide actionable intelligence and better inputs for future strategy making. Semantic technologies like knowledge graphs have proved to be useful tools that help in linking disparate data sources intelligently and also enable reasoning through complex networks that are created as a result of this linking. Over the last decade the process of creation, storage, and maintenance of knowledge graphs have sufficiently matured, and they are now making inroads into business decision making also. Very recently, these graphs are also seen as a potential way to reduce hallucinations of large language models, by including these during pre‐training as well as generation of output. There are a number of challenges also. These include building and maintaining the graphs, reasoning with missing links, and so on. While these remain as open research problems, we present in this article a survey of how knowledge graphs are currently used for deriving business intelligence with use‐cases from various domains.This article is categorized under:Algorithmic Development > Text MiningApplication Areas > Business and Industry
Infant survival is significantly impacted by dam‐ and management‐related factors in zoo‐managed Eulemur populations
Authors: Robinson Christopher , McDonald Monica M. , Stirk Jodi , Hoppe Peggy , Ferrie Gina M. 
Published: February 2024

AbstractDue to their potential impact on population growth, many studies have investigated factors affecting infant survival in mammal populations under human care. Here we used more than 30 years of Association of Zoos and Aquariums (AZA) studbook data and contraception data from the AZA Reproductive Management Center, along with logistic regression models, to investigate which factors affect infant survival in four Eulemur species managed as Species Survival Plans® in AZA. Across species, infant survival to 1 month ranged from 65% to 78%. Previous experience producing surviving offspring was positively correlated to infant survival in collared (Eulemur collaris), crowned (Eulemur coronatus), and mongoose (Eulemur mongoz) lemurs. Both dam age and previous use of contraception were negatively correlated to infant survival for collared lemurs, though our results suggest the latter may be confounded with other factors. Blue‐eyed black lemurs (Eulemur flavifrons) were affected by birth location, suggesting differences in husbandry that may affect infant survival. These results can be used to assist in reproductive planning or to anticipate the likelihood of breeding success. Population managers may also be able to focus their reproductive planning on younger dams or those with previous experience to predict successful births. Future studies should seek to determine what aspects of previous dam success are most important to infant survival, investigate sire‐related factors, and examine factors related to cause of death in infants that may lead to differential survival. Our hope is to present a framework that may be useful for investigating infant survival in other mammal species' breeding programs.
The Effects of Industry 4.0 on Steel Workforce: Identifying the Current and Future Skills Requirements of the Steel Sector and Developing a Sectorial Database
Authors: Akyazi Tugce , Goti Aitor , Báyon Félix 
Published: February 2024

AbstractIn recent years, the European steel sector has undergone constant and substantial changes due to the digitalization of steel production as well as persistent demands to place the industry on a further environmentally sustainable footing. However, the majority of the experienced workforce in the metallurgy sector do not have the necessary technological competences. The steel sector is in need of a highly qualified labour force to keep up with the growing digitalization, and to manage the implementation of new business models. Creating a competent labour force with updated skills is only possible through addressing the current skills needs and trends as well as anticipating the future ones. This chapter is developed to respond to this need and guide the sector through performing a detailed desk analysis and generating a sectoral occupational database. We believe that the sectoral database would serve the steel industry as a crucial tool for all the future technological and organizational changes. Steel manufacturers, universities, training and education centres are aimed to be the end-users of the database, since they are responsible from the development, redesign and delivery of training programs.