bluuebunny/crossref_metadata_2025_split huggingface dataset:
Breaking the Selectivity Barrier: Reactive Oxygen Species Control in Photocatalytic Nitric Oxide Conversion
Authors: Dai Wenrui , Zhang Shao , Shang Huan , Xiao Shuning , Tian Zhangliu , Fan Wenbo , Chen Xiaolang , Wang Shike , Chen Wei , Zhang Dieqing 
Published: October 2023

AbstractSemiconductor photocatalytic technology holds promise in efficiently reducing low concentrations of gaseous nitric oxide (NO). However, the suboptimal selectivity in NO removal, leading to the undesired production of NO2 byproducts, poses a challenge. In this study, a defective CdS/Na2Ti3O7 heterostructure is rationally designed with strong electronic interaction and intimate interface contact for promoting charge transfer kinetics. This design refines reactive oxygen species (ROS) generation, resulting in an impressive 81% NO elimination and 99.7% selectivity toward nitrates. Detailed mechanistic studies reveal an intriguing catalysis scenario in which reactant molecules are selectively adsorbed and activated at different sites. Anionic vacancies on the CdS/Na2Ti3O7 surface render the activation of molecular O2 to reactive superoxide radicals (O2
−) species. Furthermore, intrinsic surface basicity and O vacancy sites of the Na2Ti3O7 cocatalyst facilitate the capture and activation of acidic nitrogen oxides (NOx) molecules as nitrate species, contributing to enhanced catalytic activity and selectivity. As a result, anionic vacancies and basic sites over CdS/Na2Ti3O7 heterostructure synergistically regulate the NOx oxidation pathway, refining the products toward nitrate with remarkable selectivity. These insights guide the development of advanced photocatalytic systems for environmental remediation, highlighting the importance of managing ROS production for efficient pollutant removal.
Blue TADF Conjugated Polymers with Multi‐Resonance Feature toward Solution‐Processable Narrowband Blue OLEDs
Authors: Luo Wenbo , Wang Tao , Huang Zhongyan , Huang Haoxin , Li Nengquan , Yang Chuluo 
Published: October 2023

AbstractThe development of thermally activated delayed fluorescence (TADF) polymers with narrowband emission, particularly in the blue region, remains a formidable challenge. Herein, a new approach is demonstrated for blue TADF conjugated polymers by integrating multiresonance TADF moiety into the conjugated backbone. All the new polymers exhibit TADF characteristics with narrowband blue emission with full‐width at half‐maximums (FWHMs) of 23 nm. The solution‐processed OLEDs based on these polymers achieve a maximum external quantum efficiency (EQEmax) of 17.9% with the emission peak at 479 nm and FWHM of 28 nm. The main‐chain type MR‐TADF polymer shed light on the development of narrowband emissive TADF conjugated polymers.
Hierarchical Ohmic Contact Interface Engineering for Efficient Hydrazine‐Assisted Hydrogen Evolution Reaction
Authors: Yang Yifan , Li Xuanyang , Liu Guanglei , Liu Huixiang , Shi Yuehao , Ye Chuming , Fang Zhan , Ye Mingxin , Shen Jianfeng 
Published: October 2023

AbstractHydrazine oxidation reaction coupled with hydrogen evolution reaction (HER) is an effective strategy to achieve low energy water splitting for hydrogen production. In order to realize the application of hydrazine‐assisted HER system, researchers have been focusing on the development of electrocatalysts with integrated dual active sites, while the performance under high current density is still unsatisfying. In this work, hierarchical Ohmic contact interface engineering is designed and used as a bridge between the NiMo and Ni2P heterojunction toward industrial current density applications, with the charge transfer impedance greatly eliminated via such a pathway with low energy barrier. As a proof‐of‐concept, the importance of charge redistribution and energy barrier at the Ohmic contact interface is investigated by significantly reducing the voltage of overall hydrazine splitting (OHzS) at high current density. Intriguingly, the NiMo/Ni2P hierarchical Ohmic contact heterojunction can drive current densities of 100 and 500 mA cm−2 with only 181 and 343 mV cell voltage in the OHzS electrolyzer with high electrocatalytic stability. The proposed hierarchical Ohmic contact interface engineering paves new avenue for hydrogen production with low energy consumption.
Lewis Acid Driving Asymmetric Interfacial Electron Distribution to Stabilize Active Species for Efficient Neutral Water Oxidation
Authors: Zhao Sheng , Wang Yue , Hao Yixin , Yin Lijie , Kuo Chun‐Han , Chen Han‐Yi , Li Linlin , Peng Shengjie 
Published: October 2023

AbstractNeutral oxygen evolution reaction (OER) with unique reactive environments exhibits extremely slow reaction kinetics, posing significant challenges in the design of catalysts. Herein, a built‐in electric field between the tungstate (Ni‐FeWO4) with adjustable work function and Lewis acid WO3 is elaborately constructed to regulate asymmetric interfacial electron distribution, which promotes electron accumulation of Fe sites in the tungstate. This decelerates the rapid dissolution of Fe under the OER potentials, thereby retaining the active hydroxyl oxide with the optimized OER reaction pathway. Meanwhile, Lewis acid WO3 enhances hydroxyl adsorption near the electrode surface to improve mass transfer. As expected, the optimized Ni‐FeWO4@WO3/NF self‐supporting electrode achieves a low overpotential of 235 mV at 10 mA cm−2 in neutral media and maintains stable operation for 200 h. Furthermore, the membrane electrode assembly constructed by such self‐supporting electrode exhibits robust stability for 250 h during neutral seawater electrolysis. This work deepens the understanding of the reconstruction of OER catalysts in neutral environments and paves the way for development of the energy conversion technologies.
Spatiotemporal Data Processing with Memristor Crossbar‐Array‐Based Graph Reservoir
Authors: Jang Yoon Ho , Lee Soo Hyung , Han Janguk , Kim Woohyun , Shim Sung Keun , Cheong Sunwoo , Woo Kyung Seok , Han Joon‐Kyu , Hwang Cheol Seong 
Published: October 2023

AbstractMemristor‐based physical reservoir computing (RC) is a robust framework for processing complex spatiotemporal data parallelly. However, conventional memristor‐based reservoirs cannot capture the spatial relationship between the time‐varying inputs due to the specific mapping scheme assigning one input signal to one memristor conductance. Here, a physical “graph reservoir” is introduced using a metal cell at the diagonal‐crossbar array (mCBA) with dynamic self‐rectifying memristors. Input and inverted input signals are applied to the word and bit lines of the mCBA, respectively, storing the correlation information between input signals in the memristors. In this way, the mCBA graph reservoirs can map the spatiotemporal correlation of the input data in a high‐dimensional feature space. The high‐dimensional mapping characteristics of the graph reservoir achieve notable results, including a normalized root‐mean‐square error of 0.09 in Mackey–Glass time series prediction, a 97.21% accuracy in MNIST recognition, and an 80.0% diagnostic accuracy in human connectome classification.
Universal Wet‐Chemistry‐Methods Synthesized Novel Halide‐Intercalated Perovskites with Reduced Exciton Confinement for Low‐Dose X‐ray Scintillation Imaging
Authors: Song Jiewu , Ran Peng , Liu Xiaolong , Mu Zhen , Du Fenqi , Gu Hao , He Lintao , Liang Chao , Xing Guichuan , Yang Yang (Michael) , Tao Xutang 
Published: October 2023

AbstractX‐ray radiography, playing a crucial role in the daily life of humans, extends the application landscapes of perovskites. Lead halide perovskites remain superior candidates because of strong X‐ray absorption and effective conversion of X‐ray to visible photons. Unfortunately, the perovskites exhibiting efficient band‐edge emission (3D, quasi‐2D or 2D) usually suffer from severe self‐absorption, while the perovskites showing broadband emission with large Stokes shift (0D, 1D or 2D) usually have low quantum yield, long afterglow or poor solution‐processability. Halide‐intercalated perovskites, with incorporated halides in organic layers, exhibit attractive optoelectronic properties due to reduced confinement of excitons, but their development falls far behind due to limited molecular design strategies and wet‐chemistry methods. Here, the use of universal‐wet‐chemistry‐synthesized novel halide‐intercalated perovskites as an efficient X‐ray scintillator for X‐ray imaging is reported. These novel perovskites exhibit superior luminescence by exploiting both free and self‐trapped excitons via halide intercalation. Accordingly, such perovskite scintillators present higher radioluminescence performance compared with conventional perovskite scintillators through enhanced radiative recombination and suppressed self‐absorption simultaneously. With such a scintillator screen, high‐performance X‐ray imaging is demonstrated. The results not only represent a universal synthesis route for the development of perovskites, but also provide valuable guidance for high‐performance X‐ray radiography.
Cu‐Catalyzed Intramolecular Borylation‐Cross Coupling Reaction of Unactivated Alkenes to Borylated Indolines
Authors: Fan Lin , Yan Xinlong , Li Changjiang , Cao Yuxue , Liu Guodu 
Published: October 2023

AbstractCu‐catalyzed intramolecular borylation‐cross coupling reaction of alkenes was developed. Racemic and chiral borylated indolines were achieved by borylation‐cross coupling of alkenes with B2pin2 via simultaneous construction of C−C and C−B bonds by Cu/phosphine ligand system. With CuOAc and DPPE ligand, a series of 3‐substituted borylated indoline derivatives were concisely synthesized in good to excellent yields in short time under mild conditions. Asymmetric synthesis was investigated by ligand screening, and the chiral 3‐substituted borylated indoline was obtained in 80% yield and 80:20 er with (R, R)‐Me‐Duphos. Application of 3‐substituted borylated indolines has been demonstrated by a gram scale synthesis and further functionalization.
Desilylation‐Promoted Phosphine Catalysis: Intramolecular Annulation/Nucleophilic Addition Sequence of Trimethylsilylethynyl Benzoxazinanones with N‐Tosyl Imines
Authors: Jiang Feng , Zhong De , Wang Lan , Zhou Leijie , Wang Lei , Huang Jiaxing , Guo Hongchao 
Published: October 2023

AbstractUnder phosphine catalysis facilitated through desilylation, intramolecular annulation/nucleophilic addition of trimethylsilylethynyl benzoxazinanones with electron‐deficient imines or alkenes was achieved to afford a series of indole derivatives in moderate to high yields. The trimethylsilylethynyl benzoxazinanones without electron‐withdrawing group on the alkyne moiety functioned as phosphine acceptors. Notably, the distinctive desilylation activation played a key role in catalytic process. Particularly, those indole derivatives could be readily transformed into various biologically significant γ‐carboline compounds. The use of chiral phosphine achieved asymmetric reaction, leading to a 95% ee of product.
Recent Progress and Insights in the Design of Stable Sodium Metal Anodes
Authors: Li Tong , Gu Sichen , Lv Wei , Kang Feiyu 
Published: October 2023

AbstractHigh‐energy sodium (Na)‐metal batteries have attracted considerable attention due to their high theoretical capacity and abundant Na resources. However, the development of room‐temperature Na metal anodes faces several significant challenges. First, the fragile solid electrolyte interphase (SEI) and highly reactive nature of Na metal cause continuous consumption of electrolytes. Furthermore, Na dendrite growth is more vigorous than the Li counterpart due to the unstable SEI, leading to rapid decay in Coulombic efficiency and short‐circuit issues. Additionally, volume expansion and the generation of flammable gases during Na plating and stripping are significant issues in practical Na metal batteries. This review provides a comprehensive summary of proposed solutions aimed at addressing these problems, including electrolyte modification design, protective layer implementation, and structured Na‐metal anode development with the goal of achieving a stable interface, reversible Na plating/stripping processes, and a prolonged cycling lifespan. Furthermore, this review discusses the underlying principles behind these strategies while offering insights into future research directions.
Non‐Toxic and Stable Double Perovskite Solar Cells Based on Cs2AgSbX6 Light Harvester: First Principle Calculations‐Aided Theoretical Estimation
Authors: Alla Mohamed , Mishra Om P. , Wakale Girish R. , Choudhary Ekta , Manjunath Vishesh , Hossain Mohammad K. , Rouchdi Mustapha , Fares Boubker 
Published: October 2023

AbstractOwing to the low long‐term stability and high toxicity, high‐efficiency perovskite solar cells are yet to be commercialized. Therefore, it is imperative to find a reliable and environmentally benign alternative perovskite light harvester. Herein, the study presents a non‐toxic double perovskite light harvester based on Cs2AgSbX6 (where X = Cl, Br, and I) as a substitute, which can render both high efficiency and long‐term durability. The optoelectronic properties of the Cs2AgSbX6 double perovskite light harvesters are investigated with the Cambridge Serial Total Energy Package (CASTEP) software package that is committed to density functional theory (DFT). The bandgap (indirect) tunability of Cs2AgSbX6 double perovskite light harvesters and associated changes in the density of states (DOS) are explored. The obtained results are further loaded as input to the SCAPS‐1D software package to assess the potential of Cs2AgSbX6 double perovskite solar cells. With the FTO/AZnO/Cs2AgSbX6/MoO3/rear contact device structure, the thickness and bulk defect density of the Cs2AgSbX6 light harvester have superior control over the performance of the double perovskite solar cells. The highest theoretical efficiency of ≈29.9% is estimated for the Cs2AgSbI6 light harvester. Additionally, the effectiveness of several prospective back electrodes is examined.
Solution‐Processed Semiconductor Materials as Cathode Interlayers for Organic Solar Cells
Authors: Xiang Yanhe , Xu Bowei , Li Ying 
Published: October 2023

AbstractCathode interlayers (CILs) play a crucial role in improving the photovoltaic efficiency and stability of OSCs. CILs generally consists of two kinds of materials, interfacial dipole‐based CILs and SPS‐based CILs. With good charge transporting ability, excellent compatibility with large‐area processing methods, and highly tunable optoelectronic properties, the SPS‐based CILs exhibit remarkable superiorities to their interfacial dipole‐based counterparts in practical use, making them promising candidate in developing efficient CILs for OSCs. This mini‐review highlights the great potential of SPS‐based CILs in OSC applications and elucidates the working mechanism and material design strategy of SPS materials. Afterward, the SPS‐based CIL materials are summarized and discussed in four sections, including organic small molecules, conjugated polymers, nonconjugated polymers, and TMOs. The structure‐property‐performance relationship of SPS‐based CIL materials is revealed, which may provide readers new insight into the molecular design of SPS‐based CILs. The mechanisms to endow SPS‐based CILs with thickness insensitivity, resistance to environmental erosion, and photo‐electric conversion ability are also elucidated. Finally, after a brief summary, the remaining issues and the prospects of SPS‐based CILs are suggested.
Enabling Electrochemical–Mechanical Robustness of Ultra‐High Ni Cathode via Self‐Supported Primary‐Grain‐Alignment Strategy
Authors: Hou Yu‐Kun , Li Chenxi , Ren Dongsheng , He Feixiong , Zhuang Kaijun , Yin Shuo , Yuan Guohe , Wang Yiqiao , Guo Yi , Liu Saiyue , Sun Peng , Zhang Zhihua , Tan Tiening , Zhu Gaolong , Lu Languang , Liu Xiang , Ouyang Minggao 
Published: October 2023

AbstractThe electrochemical–mechanical degradation of ultrahigh Ni cathode for lithium‐ion batteries is a crucial aspect that limits the cycle life and safety of devices. Herein, the study reports a facile strategy involving rational design of primary grain crystallographic orientation within polycrystalline cathode, which well enhanced its electro‐mechanical strength and Li+ transfer kinetics. Ex situ and in situ experiments/simulations including cross‐sectional particle electron backscatter diffraction (EBSD), single‐particle micro‐compression, thermogravimetric analysis combined with mass spectrometry (TGA‐MS), and finite element modeling reveal that, the primary‐grain‐alignment strategy effectively mitigates the particle pulverization, lattice oxygen release thereby enhances battery cycle life and safety. Besides the preexisting doping and coating methodologies to improve the stability of Ni‐rich cathode, the primary‐grain‐alignment strategy, with no foreign elements or heterophase layers, is unprecedently proposed here. The results shed new light on the study of electrochemical–mechanical strain alleviation for electrode materials.
A Quantitative Understanding of Electron and Mass Transport Coupling in Lithium–Oxygen Batteries
Authors: Zhang Zhuojun , Xiao Xu , Yan Aijing , Sun Kai , Yu Jianwen , Tan Peng 
Published: October 2023

AbstractThe lithium–oxygen battery has the highest theoretical specific energy among all battery systems, while the actual value falls significantly short. The hindered oxygen and/or electron transport result(s) in limited utilization of the porous air electrode, while achieving a quantitative understanding of the electrochemistry and mass transport coupling is challenging. Herein, a porous electrode with highly consistent and controllable channel units is pioneered that excludes the randomness of disordered pores and consequently enables the investigation of control mechanisms. A three‐dimensional dynamic heterogeneous model is developed, providing the first spatio‐temporal distribution of LiO2 and revealing its reversed diffusion trajectories at limited electron transport. The synergistic combination of experiments and models identifies the crucial role of channel sizes on mechanisms that are divided into mass, hybridization, and electron transport control. For macropores, improving Li2O2 conductivity and mitigating solid‐liquid interface damage are urgent compared to enhancing oxygen diffusion. The unit model offers a promising approach to quantitatively understand the reaction and transport mechanisms in other battery systems with porous electrodes. This work represents a break through in knowledge of control mechanisms and guides the design of disordered electrodes for high‐performance lithium–oxygen batteries.
Interseeded cover crops did not cause corn yield loss in eastern North Dakota
Authors: Franzen David , Wick Abbey , Bu Honggang , Ritchison Daryl , Mullins Barbara , Chatterjee Amitava 
Published: October 2023

AbstractNorth Dakota is a transitional semiarid region with annual precipitation in the eastern part of the state of about 50–55 cm, mostly from rainfall. The moisture demand from interseeding cover crops into standing corn (Zea mays) early in the season has been a concern and is likely why most corn growers do not interseed cover crops. Corn grain yield was determined in response to interseeding of cereal rye (Secale cereale) or oat (Avena sativa), radish (Raphanus sativus), and camelina (Camelina sativa) and incremental fertilizer nitrogen (N) application rates for five site‐years in the eastern North Dakota. Fifty‐eight days and 35 days of leaf wetness from dew in 2019 and 2020, respectively, were recorded. Cumulative dew accumulation since cover crop emergence was 5.6 mm and 3.5 mm in 2019 and 2020, respectively. Interseeding and its interactions with fertilizer‐N rate did not influence the grain yield. However, cereal rye produced the most biomass of the cover crop species, but the amount varied with site and growing season conditions. Late October, cereal rye biomass produced was 98.8 kg ha−1 in 2018, 352 kg ha−1 in 2019, and 70.3 kg ha−1 in 2020 at the Gardner site. Interseeding did not reduce grain yield loss compared to control. Outcomes will encourage corn growers to adopt cover crops without any changes in their fertilizer N application.
Selective hydrogenation of benzoic acid over bimetallic NiCo embedded in N‐doped carbon
Authors: Hu Di , Xu Hong , Zeng Yongjian , Lin Lu , Jiang Zhiwei , Yan Kai 
Published: October 2023

AbstractThe selective hydrogenation of biomass‐derived benzoic acid (BA) to cyclohexane carboxylic acid (CCA) is vital to producing fine chemicals from renewable sources. Herein, a novel nitrogen‐doped carbon supported bimetallic catalyst (Ni1Co1/NC) was synthesized via a PVP‐assisted method to catalyze the selective hydrogenation of BA to CCA. Compared with the non‐doped Ni1Co1/C and single counterparts, Ni1Co1/NC exhibited a substantially enhanced activity, with 98.1% yield of CCA. The excellent performance was attributed to the NiCo synergistic effect and N‐doped thin carbon layer, which could increase the total proportion of Ni0 and Co0 species via donating electrons to Co and thus improve the H2 adsorption capacity, the hydrogenation activity of aromatic rings in BA and the stability. This work demonstrates a synergetic effect between NiCo bimetal and N‐doped thin carbon layer. This would pave the way for the rational design and synthesis of high‐performance non‐noble catalysts used in BA hydrogenation.
Enzymatisches Upcycling von PET‐Abfällen zu Calcium‐Terephthalat für Batterieanoden
Authors: Xue Rui , Qiu Canhao , Zhou Xiaoli , Cheng Yun , Zhang Zhen , Zhang Yi , Schröder Uwe , Bornscheuer Uwe T. , Dong Weiliang , Wei Ren , Jiang Min 
Published: October 2023

AbstractBiotechnologisches Recycling bietet eine vielversprechende Lösung für die Umweltprobleme im Zusammenhang mit Kunststoffabfällen, insbesondere für Polyethylenterephthalat (PET), das häufig in Verpackungsmaterialien und Textilien verwendet wird. Um die Entwicklung einer biobasierten Kreislaufwirtschaft für Kunststoffe voranzutreiben, sind innovative Upcycling‐Strategien erforderlich, mit denen höherwertige Produkte erzeugt werden können. In dieser Studie verbesserten wir die enzymatische Depolymerisation von PET‐Abfall, indem wir hochkonzentrierte Kalziumionen (bis zu 1 m) in die hydrolytische Reaktion einbrachten, die durch das beste derzeit bekannte Enzym LCCICCG katalysiert wird. Das Vorhandensein von Kalziumionen verbesserte nicht nur die thermische Stabilität und Aktivität des Biokatalysators, sondern verringerte auch den Basenverbrauch, der zur Aufrechterhaltung eines optimalen pH‐Wertes erforderlich ist, erheblich. Unter optimierten Bedingungen bei 80 °C für 12 Stunden konnten wir ≈84 % des PET‐Abfalls (200 g L−1) erfolgreich in festes hydratisiertes Kalziumterephthalat (CaTP ⋅ 3H2O) als Hauptprodukt anstelle von löslichem Terephthalatsalz umwandeln. CaTP ⋅ 3H2O konnte leicht gereinigt und als Rohstoff für die Herstellung von Batterieelektroden verwendet werden und wies eine anfängliche reversible spezifische Kapazität von 164.2 mAh g−1 auf. Durch eine techno‐ökonomische Analyse konnten wir schlüssig nachweisen, dass die auf Biokatalyse basierende Eintopfsynthese von CaTP eine bessere PET‐Upcycling‐Strategie ist als die sekundäre Synthesemethode, bei der recycelte Terephthalsäure verwendet wird.