bluuebunny/crossref_metadata_2025_split huggingface dataset:
Full‐Landscape Condensation Phases for Long‐Lived Excitons in 2D Tellurium: Crystal‐Field Splitting and Finite‐Momentum Excitons
Authors: Xia Yujie , Le Shu  , Zhang Yiming , Chen Ying , Peng Lei , Zhang Juan , Li Ben , Shao Hezhu , Cen Yan , Sui Zhan , Zhu Heyuan , Zhang Hao 
Published: September 2023

AbstractThe realization of high‐temperature exciton macroscopic quantum phases in materials still remains challenging due to strict constraints in thermal stabilities and excitonic lifetimes. In this work, by using first‐principles calculations, the exciton dispersions and macroscopic quantum phase transitions of 2D α‐ and β‐Te are investigated. The excitons with lowest eigen energy for both α‐ and β‐Te are dark restricted by the crystal‐field symmetries. The Bose–Einstein condensation (BEC) transition for α‐ and β‐Te can be realized at 165.4 and 32.8 K with low excitation power densities of 0.42 × 1012 and 1.0 × 1012 cm−2, respectively. Furthermore, the phase transitions from insulating free exciton (FE) gas to conducting electron–hole plasma (EHP) and electron–hole liquid (EHL), as well as that from BEC to superfluidity phases are also predicted. Finally, the authors investigate the microscopic dynamics for bright excitons of 2D tellurium and find that they reach thermal equilibrium at 1–50 fs and excitonic lifetimes can reach 1–40 ns, beneficial for experimental observation of quantum condensate states. The findings in this work not only demonstrate the excellent optoelectronic properties of 2D tellurium allotropes, but also provide a promising platform for experimental realization of high‐temperature excitonic macroscopic quantum condensates.
Performance Enhancement and In Situ Observation of Resistive Switching and Magnetic Modulation by a Tunable Two‐Level System of Mn Dopants in a‐Gallium Oxide‐based Memristor
Authors: Dai Xu , Zhang Xi , Gong Dan , Xiang Gang 
Published: September 2023

AbstractPurely gallium oxide‐based memristors (GOMRs) show great potentials in resistive random‐access‐memory (RRAM) due to their chemical stability and resistive switching characteristics with Roff/Ron ratios up to 102; indeed, GOMRs with higher Roff/Ron ratios and more functionalities are more expected. In this study, ferromagnetic amorphous gallium oxide (a‐GMO) films with a tunable two‐level system of Mn dopants, i.e., Mn2+ and Mn3+ ions, are prepared by scalable polymer assisted deposition. The Pt/a‐GMO/Pt memristors show a high Roff/Ron ratio of 103, at least one order of magnitude higher than those of previously reported purely GOMRs, thanks to the abundant oxygen vacancies (VOs)‐induced low resistance state and Mn2+‐enhanced high resistance state. Meanwhile, magnetic modulation (MM) is realized electrically in the a‐GOMRs during the RS, through the tuning of bound magnetopolarons (BMPs) by bias voltage‐induced VOs variations, which may be useful for quaternary information coding. Notably, the transition between Mn3+ and Mn2+ions is observed in the GOMRs, which is closely related to the variations of VO concentration and BMP amount, providing an in situ tool to probe the VO‐induced RS and BMP‐dependent MM. The results give insights to Mn‐doped GOMRs and may be useful for design, fabrication, and testing of multifunctional high‐performance RRAMs.
Boosting the Viable Water Harvesting in Solar Vapor Generation: From Interfacial Engineering to Devices Design
Authors: Zhang Panpan , Wang Haiyang , Wang Jing , Ji Zhiyong , Qu Liangti 
Published: September 2023

AbstractContinuously increasing demand for the life‐critical water resource induces severe global water shortages. It is imperative to advance effective, economic, and environmentally sustainable strategies to augment clean water supply. The present work reviews recent reports on the interfacial engineering to devices design of solar vapor generation (SVG) system for boosting the viability of drinkable water harvesting. Particular emphasis is placed on the basic principles associated with the interfacial engineering of solar evaporators capable of efficient solar‐to‐thermal conversion and resulting freshwater vapor via eliminating pollutants from quality‐impaired water sources. The critical configurations manufacturing of the devices for fast condensation is then highlighted to harvest potable liquid water. Fundamental and practical challenges, along with prospects for the targeted materials architecture and devices modifications of SVG system are also outlined, aiming to provide future directions and inspiring critical research efforts in this emerging and exciting field.
In‐Situ‐Grown Cu Dendrites Plasmonically Enhance Electrocatalytic Hydrogen Evolution on Facet‐Engineered Cu2O
Authors: Zhang Hao , Diao Jiefeng , Liu Yonghui , Zhao Han , Ng Bryan K. Y. , Ding Zhiyuan , Guo Zhenyu , Li Huanxin , Jia Jun , Yu Chang , Xie Fang , Henkelman Graeme , Titirici Maria‐Magdalena , Robertson John , Nellist Peter , Duan Chunying , Guo Yuzheng , Riley D. Jason , Qiu Jieshan 
Published: September 2023

AbstractHerein, facet‐engineered Cu2O nanostructures are synthesized by wet chemical methods for electrocatalytic HER, and it is found that the octahedral Cu2O nanostructures with exposed crystal planes of (111) (O‐Cu2O) has the best hydrogen evolution performance. Operando Raman spectroscopy and ex‐situ characterization techniques showed that Cu2O is reduced during HER, in which Cu dendrites are grown on the surface of the Cu2O nanostructures, resulting in the better HER performance of O‐Cu2O after HER (O‐Cu2O‐A) compared with that of the as‐prepared O‐Cu2O. Under illumination, the onset potential of O‐Cu2O‐A is ca. 52 mV positive than that of O‐Cu2O, which is induced by the plasmon‐activated electrochemical system consisting of Cu2O and the in‐situ generated Cu dendrites. Incident photon‐to‐current efficiency (IPCE) measurements and the simulated UV–Vis spectrum demonstrate the hot electron injection (HEI) from Cu dendrites to Cu2O. Ab initio nonadiabatic molecular dynamics (NAMD) simulations revealed the transfer of photogenerated electrons (27 fs) from Cu dendrites to Cu2O nanostructures is faster than electron relaxation (170 fs), enhancing its surface plasmons activity, and the HEI of Cu dendrites increases the charge density of Cu2O. These make the energy level of the catalyst be closer to that of H+/H2, evidenced by the plasmon‐enhanced HER electrocatalytic activity.
Multi‐Hydrogen Bonds Enhanced Anchoring Effect Enabling High‐Efficiency Blue Phosphorescence, Single‐Molecule White Light, and Tunable Colorful Emission with Quantitative Energy Transfer
Authors: Xie Yingjie , Wang Zepeng , Yu Peng , Zhang Lan , Geng Yun , Zhao Jianfeng 
Published: September 2023

AbstractUltralong organic room‐temperature phosphorescence (RTP) materials, especially high‐energy blue emission materials, have attracted tremendous attention but remain difficult to achieve. Here, a strategy based on the multi‐hydrogen bonds enhanced anchoring effect is developed to activate single‐molecule blue phosphorescence emission with the highest efficiency of 29.79%. Specifically, the aromatic electrophilic directing (AED) effect provides a rational explanation for the structural spectral change. The construction of artificial light‐harvesting systems via physical blending achieves on‐demand modulation for afterglow color, including white afterglow. Furthermore, cold‐white emission is also achieved via a structural π‐extension optimization strategy. Moreover, the high transmittance and reversible water‐sensitivity render these polymer films with applicability as smart organic optoelectronic materials.
Self‐Assembled Asymmetric Electrodes for High‐Efficiency Thermogalvanic Cells
Authors: Zhuang Xinyan , Jin Hongrun , Dai Simin , Li Xiaoqiong , Guo Wenhuan , Wang Yan , Wu Jiabin , Huang Liang , Duan Jiangjiang , Zhou Jun 
Published: September 2023

AbstractThe thermogalvanic cell (TGC) is considered a promising thermoelectric device for directly converting low‐grade waste heat into electricity due to its low‐cost and scalable properties. However, the low output and conversion efficiency limit its practical application. Herein, record‐high thermoelectric conversion performances are achieved in the aqueous ferri/ferrocyanide ([Fe(CN)6]3−/[Fe(CN)6]4−) based TGC by using the electrode of cobaltous oxide nanowires array on carbon cloth fiber. Because of the temperature‐dependence reaction activity between CoO with [Fe(CN)6]4−, the asymmetric electrodes of Co2Fe(CN)6 and CoO nanowires array on carbon cloth fiber are constructed at the hot anode and cold cathode, respectively. These self‐assembled asymmetric electrodes exhibit specific catalysis toward electrode reactions at both ends of TGC, leading to a significant reduction in electronic activation energy. It is demonstrated that the electrodes have high catalytic activity and high specific surface area, enabling the construction of a high‐efficiency TGC with a Carnot‐relative efficiency (ηr) of 14.8% and a maximum output power density (Pmax) of 24.5 W m−2. This work offers an asymmetric electrode engineering pathway for the continuous evolution of TGCs.
Impacts of artisanal fishing on the reproductive biology and population structure of tigerfish (Hydrocynus vittatus) in the Ume Basin of Lake Kariba, Zimbabwe
Authors: Magqina Terence , Mudungwe Ashley , Goza David 
Published: September 2023

AbstractFisheries studies concerning the related impacts of fishing on the aquatic environment have mostly dealt with industrial fisheries. Concerted large‐scale exploitation can lead to stock declines and potentially species extinction. Hydrocynus vittatus is a piscivore and popular recreational fish species that can grow up to 70 cm fork length and weigh up to 15 kg. Hydrocynus vittatus is also a fish of importance in Lake Kariba as local communities along lake shorelines depend on it for both income and food. There is an insufficient understanding of the impacts of artisanal fishing on tigerfish, H. vittatus population parameters and reproductive biology in Lake Kariba. Hence, this study investigated life history traits and population dynamics of H. vittatus in the Ume Basin of Lake Kariba, north‐eastern Zimbabwe. Scales were used to estimate the age of tigerfish and the Bertalanffy growth curve used to estimate the growth parameters. A gonadal reproductive stage determination index was used to determine sexual maturity and the logistic growth curve was used to estimate size at 50% sexual maturity (L50). Using the gonadal maturation index, the L50 for males was estimated ranging between 120 and 149 mm. On the other hand, L50 reached between 250 and 299 mm in females. Females had a higher average mean length (335 mm), compared to that of males (289 mm). The length‐at‐age data from scales had relatively few outliers and moderate scatter. Parameters for the von Bertalanffy growth curve were (L‐infinity = 641.5, k = 0.517, t0 = 3.07). This study highlighted the negative impacts (male‐biased sex ratio and small size at maturity) that artisanal gillnet fishing has on the population structure and reproductive potential of tigerfish in the Ume Basin of Lake Kariba. These impacts are a direct result of both legal and illegal fishing activities of the fishers operating in the Ume Basin and based at Musamba Fishing Camp. There is, therefore, an urgent need for the regulatory authority, the Matusadona Conservation Trust, to engage the fishers in developing long‐term strategies to reverse the observed unhealthy population status and allow the tigerfish stock to replenish itself.
Combined endoscopic sinus surgery and endonasal septal perforation repair: Symptom outcomes and perforation closure rates
Authors: Leung Sabrina W. , Brar Tripti , Bansberg Stephen F. , Marino Michael J. , Lal Devyani , Taylor Cullen , Miglani Amar 
Published: September 2023

Key Points
Combined endoscopic sinus surgery and nasal septal perforation repair is technically feasible.
NOSE‐Perf is a recently developed patient‐reported outcome measure for nasal septal perforation.
The decision to perform combined ESS and NSP repair should be made on a case‐by‐case basis.
Boosting the Proton‐coupled Electron Transfer via Fe−P Atomic Pair for Enhanced Electrochemical CO2 Reduction
Authors: Zhang Qiao , Tsai Hsin Jung , Li Fuhua , Wei Zhiming , He Qinye , Ding Jie , Liu Yuhang , Lin Zih‐Yi , Yang Xiaoju , Chen Zhaoyang , Hu Fangxin , Yang Xuan , Tang Qing , Yang Hong Bin , Hung Sung‐Fu , Zhai Yueming 
Published: September 2023

AbstractSingle‐atom catalysts exhibit superior CO2‐to‐CO catalytic activity, but poor kinetics of proton‐coupled electron transfer (PCET) steps still limit the overall performance toward the industrial scale. Here, we constructed a Fe−P atom paired catalyst onto nitrogen doped graphitic layer (Fe1/PNG) to accelerate PCET step. Fe1/PNG delivers an industrial CO current of 1 A with FECO over 90 % at 2.5 V in a membrane‐electrode assembly, overperforming the CO current of Fe1/NG by more than 300 %. We also decrypted the synergistic effects of the P atom in the Fe−P atom pair using operando techniques and density functional theory, revealing that the P atom provides additional adsorption sites for accelerating water dissociation, boosting the hydrogenation of CO2, and enhancing the activity of CO2 reduction. This atom‐pair catalytic strategy can modulate multiple reactants and intermediates to break through the inherent limitations of single‐atom catalysts.
Modulating Ligand‐Exchange Dynamics on Metal‐Organic Polyhedra for Reversible Sorting and Hybridization of Miktoarm Star Polymers
Authors: Lai Yuyan , He Xiaofeng , Xue Binghui , Li Mu , Wang Huihui , Huang Wei , Yin Jia‐Fu , Zhang Mingxin , Yin Panchao 
Published: September 2023

AbstractThe precise synthesis of miktoarm star polymers (MSPs) remains one of the great challenges in synthetic chemistry due to the difficulty in locating appropriate structural templates and polymer grafting/growing strategies with high selectivity and efficiency. Herein, ≈2 nm metal‐organic polyhedra (MOPs), constructed from the coordination of isophthalic acid (IPA) and Cu2+, are applied as templates for the precise synthesis of 24‐arm MSPs for their unique logarithmic ligand‐exchange dynamics. Six different polymers are prepared with IPA as an end group and they further coordinated with Cu2+ to afford the corresponding 24‐arm star homo‐polymers. MSPs can be obtained by mixing targeted homo‐arm star polymers in solutions upon thermal annealing. The compositions of MSPs can be facilely and precisely tuned by the recipe of the star polymer mixtures used. Interestingly, the obtained MSPs can be sorted into homo‐arm star polymers through a typical solvent extraction procedure. The hybridization and sorting process can be reversibly conducted through the cycle of thermal annealing and solvent treatment. The complex coordination framework not only opens new avenues for the facile and precise synthesis of MSPs and MOPs with hybrid functionalities, but also provides the capability to design sustainable polymer systems.
Electrosynthesis and Microanalysis in Thin Layer: An Electrochemical Pipette for Rapid Electrolysis and Mechanistic Study of Electrochemical Reactions
Authors: Punchihewa Buwanila T. , Minda Vidit , Gutheil William G. , Rafiee Mohammad 
Published: September 2023

AbstractElectrochemistry represents unique approaches for the promotion and mechanistic study of chemical reactions and has garnered increasing attention in different areas of chemistry. This expansion necessitates the enhancement of the traditional electrochemical cells that are intrinsically constrained by mass transport limitations. Herein, we present an approach for designing an electrochemical cell by limiting the reaction chamber to a thin layer of solution, comparable to the thickness of the diffusion layer. This thin layer electrode (TLE) provides a modular platform to bypass the constraints of traditional electrolysis cells and perform electrolysis reactions in the timescale of electroanalytical techniques. The utility of the TLE for electrosynthetic applications benchmarked using NHPI‐mediated electrochemical C−H functionalization. The application of microscale electrolysis for the study of drug metabolites was showcased by elucidating the oxidation pathways of the paracetamol drug. Moreover, hosting a microelectrode in the TLE, was shown to enable real‐time probing of the profiles of redox‐active components of these rapid electrosynthesis reactions.
Reversible Solid–Solid Conversion of Sulfurized Polyacrylonitrile Cathodes in Lithium–Sulfur Batteries by Weakly Solvating Ether Electrolytes
Authors: Ma Tao , Ni Youxuan , Li Diantao , Zha Zhengtai , Jin Song , Zhang Weijia , Jia Liqun , Sun Qiong , Xie Weiwei , Tao Zhanliang , Chen Jun 
Published: September 2023

AbstractDespite carbonate electrolytes exhibiting good stability to sulfurized polyacrylonitrile (SPAN), their chemical incompatibility with lithium (Li) metal anode leads to poor electrochemical performance of Li||SPAN full cells. While the SPAN employs conventional ether electrolytes that suffer from the shuttle effect, leading to rapid capacity fading. Here, we tailor a dilute electrolyte based on a low solvating power ether solvent that is both compatible with SPAN and Li metal. Unlike conventional ether electrolytes, the weakly solvating ether electrolyte enables SPAN to undergo reversibly “solid–solid” conversion. It features an anion–rich solvation structure that allows for the formation of a robust cathode electrolyte interphase on the SPAN, effectively blocking the dissolution of polysulfides into the bulk electrolyte and avoiding the shuttle effect. What's more, the unique electrolyte chemistry endowed Li ions with fast electroplating kinetics and induced high reversibility Li deposition/stripping process from 25 °C to −40 °C. Based on tailored electrolyte, Li||SPAN full cells matched with high loading SPAN cathodes (≈3.6 mAh cm−2) and 50 μm Li foil can operate stably over a wide range of temperatures. Additionally, Li||SPAN pouch cell under lean electrolyte and 5 % excess Li conditions can continuously operate stably for over a month.
Photocatalytic Co‐Reduction of N2 and CO2 with CeO2 Catalyst for Urea Synthesis
Authors: Yang Shuyi , Zhang Wensheng , Pan Guoliang , Chen Jiaying , Deng Jiayi , Chen Ke , Xie Xianglun , Han Dongxue , Dai Mengjiao , Niu Li 
Published: September 2023

AbstractThe effective conversion of carbon dioxide (CO2) and nitrogen (N2) into urea by photocatalytic reaction under mild conditions is considered to be a more environmentally friendly and promising alternative strategies. However, the weak adsorption and activation ability of inert gas on photocatalysts has become the main challenge that hinder the advancement of this technique. Herein, we have successfully established mesoporous CeO2‐x nanorods with adjustable oxygen vacancy concentration by heat treatment in Ar/H2 (90 % : 10 %) atmosphere, enhancing the targeted adsorption and activation of N2 and CO2 by introducing oxygen vacancies. Particularly, CeO2‐500 (CeO2 nanorods heated treatment at 500 °C) revealed high photocatalytic activity toward the C−N coupling reaction for urea synthesis with a remarkable urea yield rate of 15.5 μg/h. Besides, both aberration corrected transmission electron microscopy (AC‐TEM) and Fourier transform infrared (FT‐IR) spectroscopy were used to research the atomic surface structure of CeO2‐500 at high resolution and to monitor the key intermediate precursors generated. The reaction mechanism of photocatalytic C−N coupling was studied in detail by combining Density Functional Theory (DFT) with specific experiments. We hope this work provides important inspiration and guiding significance towards highly efficient photocatalytic synthesis of urea.
Design and synthesis of benzofuran‐ and naphthalene‐fused thiazinones as antimycobacterial agents
Authors: Keiff François , Jacques dit Lapierre Thibault J. W. , Bernal Freddy A. , Kloss Florian 
Published: September 2023

AbstractBenzothiazinones (BTZs) have widely inspired medicinal chemistry and translational research due to their remarkable antitubercular potency and clinical potential. While most structure–activity relationship campaigns have largely focused on lateral chain modifications and substituents on the BTZ core, scaffold hopping strategies have been rarely investigated previously. In this work, we report the first example of ring expansion of the BTZ core toward benzofuran‐ and naphthalene‐fused thiazinones. In vitro testing showed micromolar activity for both compounds, and molecular docking simulations provided insights into their reduced inhibitory capacity toward the enzymatic target (DprE1). Calculated electrochemical potentials revealed a lower susceptibility to reduction as opposed to BTZ drug candidates, in line with the mechanistic requirement for covalent binding.
Sample size planning for multiple contrast tests
Authors: Pöhlmann Anna , Konietschke Frank 
Published: September 2023

AbstractSample size calculations for two (independent) samples are well established and applied in (pre‐)clinical research. When planning several samples, which is common in, for example, preclinical studies, sample size planning tools based on analysis of variance methods are available. Since the underlying effect sizes of these methods are often hard to interpret and to provide for the sample size planning, we employ multiple contrast test procedures for sample size computations in both parametric (under normality assumption) and nonparametric designs using Steel‐type tests. Since the exact distributions of the test statistics are unknown under the alternative and variance heterogeneity, we use approximate solutions. Furthermore, since no closed formula for the sample size is available, we use numerical approximations for their computation. Extensive simulation studies are finally conducted to assess the quality of the approximations. It turns out that the methods are accurate in the sense that the multiple contrast test procedures reach the target power to detect the alternative of interest with the sample size computed. The developed procedures are a valuable tool to plan (pre‐)clinical trials with several samples and are easily accessible in publicly available software.
Validation of the Korean version of the Utrecht Grief Rumination Scale and its relationship with COVID‐related hypochondriasis among healthcare workers who witnessed patient deaths
Authors: Kim Jeong Hye , Chung Seockhoon 
Published: September 2023

AbstractIntroductionThis study aimed to examine the reliability and validity of the Korean version of the Utrecht Grief Rumination Scale (UGRS) among healthcare workers who witnessed patient deaths. We also examined whether grief rumination may impact the cognitive‐behavioral model of hypochondriasis.MethodsThis study was conducted via an anonymous online survey targeting healthcare workers who had worked at a tertiary hospital and had witnessed patient deaths over the previous 2 years. Demographic data and responses to the UGRS, the Pandemic Grief Scale (PGS) for healthcare workers, the Stress and Anxiety to Viral Epidemic‐9 (SAVE‐9), the Obsession with COVID‐19 Scale (OCS), and the Coronavirus Reassurance‐Seeking Behaviors Scale (CRBS) were collected by requesting participants to recall their emotional state during the 2 weeks after witnessing a patient's death.ResultsThe Korean version of the UGRS is reliable (Cronbach's alpha = 0.941) and valid (comparative fit index = 0.920, Tucker–Lewis index = 0.900, root‐mean‐square‐error of approximation = 0.102, standardized root‐mean‐square residual = 0.050) for measuring grief rumination in healthcare workers. The OCS was predicted by CRBS (β = 0.19, p < 0.001), SAVE‐9 (β = 0.45, p < 0.001), UGRS (β = 0.16, p = 0.010), and PGS (β = 0.16, p = 0.010, adjusted R2 = 0.49, F = 52.9, p < 0.001). In mediation analysis, grief rumination directly influenced coronavirus preoccupation; the relationship was mediated by viral anxiety and coronavirus reassurance‐seeking behavior.ConclusionGrief rumination of healthcare workers who witnessed patient death requires further exploration as it may influence hypochondriacal responses.