bluuebunny/crossref_metadata_2025 huggingface dataset:
Spatial Specific Janus S‐Scheme Photocatalyst with Enhanced H2O2 Production Performance
Authors: Xia Chunhong , Yuan Ling , Song Hao , Zhang Chaoqi , Li Zimeng , Zou Yingying , Li Jiaxin , Bao Tong , Yu Chengzhong , Liu Chao
Published: April 2023

Photocatalytic oxygen reduction reaction (ORR) for H2O2 production in the absence of sacrificing agents is a green approach and of great significance, where the design of photocatalysts with high performance is the central task. Herein, a spatial specific S‐scheme heterojunction design by introducing a novel semiconducting pair with a S‐scheme mechanism in a purpose‐designed Janus core–shell‐structured hollow morphology is reported. In this design, TiO2 nanocrystals are grown inside the inner wall of resorcinol‐formaldehyde (RF) resin hollow nanocakes with a reverse bumpy ball morphology (TiO2@RF). The S‐scheme heterojunction preserves the high redox ability of the TiO2 and RF pair, the spatial specific Janus design enhances the charge separation, promotes active site exposure, and reduces the H2O2 decomposition to a large extent. The TiO2@RF photocatalyst shows a high H2O2 yield of 66.6 mM g−1 h−1 and solar‐to‐chemical conversion efficiency of 1.11%, superior to another Janus structure (RF@TiO2) with the same heterojunction but a reversed Janus spatial arrangement, and most reported photocatalysts under similar reaction conditions. The work has paved the way toward the design of next‐generation photocatalysts for green synthesis of H2O2 production.
Harnessing Hafnium‐Based Nanomaterials for Cancer Diagnosis and Therapy
Authors: Ding Shuaishuai , Chen Lei , Liao Jing , Huo Qing , Wang Qiang , Tian Gan , Yin Wenyan
Published: April 2023

With the rapid development of nanotechnology and nanomedicine, there are great interests in employing nanomaterials to improve the efficiency of disease diagnosis and treatment. The clinical translation of hafnium oxide (HfO2), commercially namedas NBTXR3, as a new kind of nanoradiosensitizer for radiotherapy (RT) of cancers has aroused extensive interest in researches on Hf‐based nanomaterials for biomedical application. In the past 20 years, Hf‐based nanomaterials have emerged as potential and important nanomedicine for computed tomography (CT)‐involved bioimaging and RT‐associated cancer treatment due to their excellent electronic structures and intrinsic physiochemical properties. In this review, a bibliometric analysis method is employed to summarize the progress on the synthesis technology of various Hf‐based nanomaterials, including HfO2, HfO2‐based compounds, and Hf‐organic ligand coordination hybrids, such as metal‐organic frameworks or nanoscaled coordination polymers. Moreover, current states in the application of Hf‐based CT‐involved contrasts for tissue imaging or cancer diagnosis are reviewed in detail. Importantly, the recent advances in Hf‐based nanomaterials‐mediated radiosensitization and synergistic RT with other current mainstream treatments are also generalized. Finally, current challenges and future perspectives of Hf‐based nanomaterials with a view to maximize their great potential in the research of translational medicine are also discussed.
Boosting Thermal and Mechanical Properties: Achieving High‐Safety Separator Chemically Bonded with Nano TiN Particles for High Performance Lithium‐Ion Batteries
Authors: Zhao Qian , Wu Xiulong , Li Shenghu , Zheng Qiaotian , Jiang Shuai , Xu Ye , He Bin , Ma Ling , Luo Yangtong , Wang Yujue , Cen Wanglai , Meng Yan , Xiao Dan
Published: April 2023

Currently, the commercial separator (Celgard2500) of lithium‐ion batteries (LIBs) suffers from poor electrolyte affinity, mechanical property and thermal stability, which seriously affect the electrochemical performances and safety of LIBs. Here, the composite separators named PVDF‐HFP/TiN for high‐safety LIBs are synthesized. The integration of PVDF‐HFP and TiN forms porous structure with a uniform and rich organic framework. TiN significantly improves the adsorption between PVDF‐HFP and electrolyte, causing a higher electrolyte absorption rate (192%). Meanwhile, XPS results further demonstrate the tight link between PVDF‐HFP and TiN due to the existence of TiF bond in PVDF‐HFP/TiN, resulting in a strong impediment for the puncture of lithium dendrites as a result of the improved mechanical strengths. And PVDF‐HFP/TiN can effectively suppress the growth of lithium dendrites by means of uniform lithium flux. In addition, the excellent heat resistance of TiN improves the thermal stability of PVDF‐HFP/TiN. As a result, the LiFePO4||Li cells assembled PVDF‐HFP/TiN‐12 exhibit excellent specific capacity, rate performance, and capacity retention rate. Even the high specific capacity of 153 mAh g−1 can be obtained at the high temperature of 80 °C. Meaningfully, a reliable modification strategy for the preparation of separators with high safety and electrochemical performance in LIBs is provided.
Calcium Phosphate‐Based Nanoformulation Selectively Abolishes Phenytoin Resistance in Epileptic Neurons for Ceasing Seizures
Authors: Guan Qiwen , Wang Xuan , Cao Danfeng , Li Menghuan , Luo Zhong , Mao Xiaoyuan
Published: April 2023

Phenytoin (PHT) is a first‐line antiepileptic drug in clinics, which could decrease neuronal bioelectric activity by blocking the voltage‐operated sodium channels. However, the intrinsically low blood–brain‐barrier (BBB)‐crossing capability of PHT and upregulated expression level of the efflux transporter p‐glycoprotein (P‐gp) coded by the gene Abcb1 in epileptic neurons limit its efficacy in vivo. Herein, a nanointegrated strategy to overcome PHT resistance mechanisms for enhanced antiepileptic efficacy is reported. Specifically, PHT is first incorporated into calcium phosphate (CaP) nanoparticles through biomineralization, followed by the surface modification of the PEGylated BBB‐penetrating TAT peptide. The CaP@PHT‐PEG‐TAT nanoformulation could effectively cross the BBB to be taken in by epileptic neurons. Afterward, the acidic lysosomal environment would trigger their complete degradation to release Ca2+ and PHT into the cytosol. Ca2+ ions would inhibit mitochondrial oxidative phosphorylation to reverse cellular hypoxia to block hypoxia‐inducible factor‐1α (Hif1α)‐Abcb1‐axis, as well as disrupt adenosine triphosphate generation, leading to simultaneous suppression of the expression and drug efflux capacity of P‐gp to enhance PHT retention. This study offers an approach for effective therapeutic intervention against drug‐resistant epilepsy.
Optimized Solid Electrolyte Interphase and Solvation Structure of Potassium Ions in Carbonate Electrolytes for High‐Performance Potassium Metal Batteries
Authors: Jiang Yong , Lu Shangying , Jiang Jinlong , Li Meng , Liao Yalan , Xu Yi , Huang Shoushuang , Zhao Bing , Zhang Jiujun
Published: April 2023

The introduction of electrolyte additives is one of the most potential strategies to improve the performance of potassium metal batteries (PMBs). However, designing an additive that can alter the K+ solvation shell and essentially inhibit K dendrite remains a challenge. Herein, the amyl‐triphenyl‐phosphonium bromide was introduced as an additive to build a stable solid electrolyte interphase layer. The amyl‐TPP cations can form a cation shielding layer on the metal surface during the nucleation stage, preventing K+ from gathering at the tip to form K dendrites. Besides, the cations can be preferentially reduced to form KxPy with fast K+ transport kinetics. The Br− anions, as Lewis bases with strong electronegativity, can not only coordinate the Lewis acid pentafluoride to inhibit the formation of HF, but also change the K+ solvation structure to reduce solvent molecules in the first solvation structure. Therefore, the symmetrical battery exhibits a low deposition overpotential of 123 mV at 0.1 mA cm−2 over 4200 h cycle life. The full battery, paried with a perylene‐tetracarboxylic dianhydride (PTCDA) cathode, possesses a cycle life of 250 cycles at 2 C and 81.9% capacity retention. This work offers a reasonable electrolyte design to obtain PMBs with long‐term stablity and safety.
Carbon Nanotube‐Reinforced Dual Carbon Stress‐Buffering for Highly Stable Silicon Anode Material in Lithium‐Ion Battery
Authors: Fan Xiaoming , Cai Ting , Wang Shuying , Yang Zeheng , Zhang Weixin
Published: April 2023

Silicon (Si) anode suffers from huge volume expansion which causes poor structural stability in terms of electrode material, solid electrolyte interface, and electrode, limiting its practical application in high‐energy‐density lithium‐ion batteries. Rationally designing architectures to optimize the stress distribution of Si/carbon (Si/C) composites has been proven to be effective in enhancing their structural stability and cycling stability, but this remains a big challenge. Here, metal‐organic frameworks (ZIF‐67)‐derived carbon nanotube‐reinforced carbon framework is employed as an outer protective layer to encapsulate the inner carbon‐coated Si nanoparticles (Si@C@CNTs), which features dual carbon stress‐buffering to enhance the structural stability of Si/C composite and prolong their cycling lifetime. Finite element simulation proves the structural advantage of dual carbon stress‐buffering through significantly relieving stress concentration when Si lithiation. The outer carbon framework also accelerates the charge transfer efficiency during charging/discharging by the improvement of lithium‐ion diffusion and electron transport. As a result, the Si@C@CNTs electrode exhibits excellent long‐term lifetime and good rate capability, showing a specific capacity of 680 mAh g−1 even at a high rate of 1 A g−1 after 1000 cycles. This work provides insight into the design of robust architectures for Si/C composites by stress optimization.
Size‐Defined Ru Nanoclusters Supported by TiO2 Nanotubes Enable Low‐Concentration Nitrate Electroreduction to Ammonia with Suppressed Hydrogen Evolution
Authors: Qiu Wenxi , Xie Minghao , Wang Pengfei , Gao Taotao , Li Ran , Xiao Dan , Jin Zhaoyu , Li Panpan
Published: April 2023

Anthropogenic nitrate pollution has an adverse impact on the environment and human health. As part of a sustainable nitrate management strategy, electrochemical denitrification is studied as an innovative strategy for nutrients recycling and recovering. It is, however, challenging to selectively electro‐reduce nitrate with low‐concentration for ammonia. Herein, the photo‐deposition of size‐defined Ru nanoclusters (NCs, average size: ≈1.66 nm) on TiO2 nanotubes (NTs) is demonstrated, which show improved performance for nitrate‐to‐ammonia electroreduction with a maximum yield rate of ≈600 µg h−1 cm−2 and a faradic efficiency (FE) of > 90.0% across a broad range of potentials in comparison with electrodeposited Ru nanoparticles (NPs, average size: ≈23.78 nm) on TiO2 NTs. Experimental and theoretical evidence further suggests the small‐size Ru NCs with the intrinsically enhanced selectivity and activity because of the strong metal/substrate interaction and unsaturated coordination state. The findings highlight the size effect on Ru‐based catalyst supported on metal oxides, a versatile catalytic model, which allows the regulation of hydrogen adsorption to favor ammonia production over the competing hydrogen evolution reaction.
A Bipyridyl Covalent Organic Framework with Coordinated Cu(I) for Membrane C3H6/C3H8 Separation
Authors: Cheng Zeliang , Zhang Pinyue , Wang Ziyang , Jiang Haicheng , Wang Wenjian , Liu Dandan , Wang Lina , Zhu Guangshan , Zou Xiaoqin
Published: April 2023

Covalent organic frameworks (COFs) mixed matrix membranes (MMMs) combining individual attributes of COFs and polymers are promising for gas separation. However, applying COF MMMs for propylene/propane (C3H6/C3H8) separation remains a big challenge due to COF inert pores and C3H6/C3H8 similar molecular sizes. Herein, the designed synthesis of a Cu(I) coordinated COF for membrane C3H6/C3H8 separation is reported. A platform COF is synthesized from 5,5′‐diamino‐2,2′‐bipyridine and 2‐hydroxybenzene‐1,3,5‐tricarbaldehyde. This COF possesses a porous 2D structure with high crystallinity. Cu(I) is coordinated to bipyridyl moieties in the COF framework, acting as recognizable sites for C3H6 gas, as shown by the adsorption measurements. Cu(I) COF is blended with 6FDA‐DAM polymer to yield MMMs. This COF MMM exhibits selective and permeable separation of C3H6 from C3H8 (C3H6 permeability of 44.7 barrer, C3H6/C3H8 selectivity of 28.1). The high porosity and Cu(I) species contribute to the great improvement of separation performance by virtue of 2.3‐fold increase in permeability and 2.2‐fold increase in selectivity compared to pure 6FDA‐DAM. The superior performance to those of most relevant reported MMMs demonstrates that the Cu(I) coordinated COF is an excellent candidate material for C3H6 separation membranes.
Asymmetric Swelling Behaviors of High‐Energy‐Density Lithium‐Ion Batteries with a SiOx/Graphite Composite Anode
Authors: Zhen Huijuan , Meng Fanhui , Gao Jinhui , Liu Yibo , Liu Xizheng
Published: April 2023

The battery swelling originated from the electrode swelling is a big obstacle for the practical application of high‐energy‐density lithium‐ion batteries (HED‐LIBs). Herein, the HED‐LIBs are constructed by SiOx/graphite composite anode and LiNi0.8Co0.1Mn0.1O2 (NCM811) cathode and their swelling behaviors are investigated at the cell, electrode, and particle scales. there are three expansion stages during the charging while one expansion followed by two contraction stages during the discharging process. The expansion ratio is in direct proportion to the ratio of SiOx content and about 10 times larger than that of the cathode. A 100 nm thick double‐layer solid electrolyte interface, comprises LiF, Li2O, and Li2CO3, forms on the surface of the SiOx particles, and evolves into a 300 nm thick triple‐layer after cycling. The performance degradation of HED‐LIBs is associated with the expansion of anodes, increase in resistance, and consumption of Li in the anodes during cycling. This study is expected to guide the future selection and design of HED‐LIBs and battery packs.
Structural Transformation by Crystal Engineering Endows Aqueous Zinc‐Ion Batteries with Ultra‐long Cyclability
Authors: Wang Kangning , Wang Jianwei , Chen Peiming , Qin Mengran , Yang Chunming , Zhang Wenlin , Zhang Zhuangzhuang , Zhen Yanzhong , Fu Feng , Xu Bin
Published: April 2023

Manganese oxide is a promising cathode material for aqueous zinc batteries. However, its weak structural stability, low electrical conductivity, and sluggish reaction kinetics lead to rapid capacity fading. Herein, a crystal engineering strategy is proposed to construct a novel MnO2 cathode material. Both experimental results and theoretical calculations demonstrate that Al‐doping plays a crucial role in phase transition and doping‐superlattice structure construction, which stabilizes the structure of MnO2 cathode materials, improves conductivity, and accelerates ion diffusion dynamics. As a result, 1.98% Al‐doping MnO2 (AlMO) cathode shows an incredible 15 000 cycle stability with a low capacity decay rate of 0.0014% per cycle at 4 A g−1. Additionally, it provides superior specific capacity of 311.2 mAh g−1 at 0.1 A g−1 and excellent rate performance (145.2 mAh g−1 at 5.0 A g−1). To illustrate the potential of 1.98%AlMO to be applied in actual practice, flexible energy storage devices are fabricated and measured. These discoveries provide a new insight for structural transformation via crystal engineering, as well as a new avenue for the rational design of electrode material in other battery systems.
Watermelon Flesh‐Like Ni3S2@C Composite Separator with Polysulfide Shuttle Inhibition for High‐Performance Lithium‐Sulfur Batteries
Authors: Zhang Bo , Qie Jiaxin , Liu Xuefei , Wang Wenju , Li Yuqian , Cao Yongan , Mao Yangyang , Zou Jiaxuan , You Jiyuan
Published: April 2023

The shuttle effect limits the practical application of lithium‐sulfur (Li‐S) batteries with high specific capacity and cheap price. Herein, a three‐dimensional carbon substrate containing Ni3S2nanoparticles is created to modify the separator. The in situ optical visualization battery proves that the material can realize the rapid conversion of Li2S6. Moreover, the impact of lithium‐ion diffusion on the reactions in the cell is investigated, and the mechanism of Ni3S2@C in the cell is proposed based on the “adsorption‐diffusion‐conversion” mechanism. The “adsorption‐diffusion‐conversion” process of polysulfide is carried out on the surface of the composite separator, showing positive effects on the inhibition of polysulfide shuttle and the promotion of conversion. The separator is modified to improve sulfur utilization and reduce dead sulfur accumulation through a strategy of chemical immobilization and physical blocking. This helps to bridge the existing gaps of Li‐S batteries.
Formation of Size‐Controllable Tetragonal Nanoprisms by Crystallization‐Directed Ionic Self‐Assembly of Anionic Porphyrin and PEO‐Containing Triblock Cationic Copolymer
Authors: Jin Hongjun , Wu Ziyan , Lin Weilin , Chen Yinye , Zhang Jingran , Zheng Ruyi , Wei Haibing , Chen Qinghua , Qian Qingrong , Huang Jianbin , Zhang Jie , Yan Yun
Published: April 2023

The creation of anisotropic nanostructures with precise size control is desirable for new properties and functions, but it is challenging for ionic self‐assembly (ISA) because of the non‐directional electrostatic interactions. Herein, the formation of size‐controllable tetragonal nanoprisms is reported via crystallization‐directed ionic self‐assembly (CDISA) through evaporating a micellar solution on solid substrates. First, ISA is designed with a crystalline polyethylene oxide (PEO) containing cationic polymer poly(2‐(2‐guanidinoethoxy)ethyl methacrylate)‐b‐poly(ethyleneoxide)‐b‐poly(2‐(2‐guanidinoethoxy)‐ethylmethacrylate) (PGn‐PEO230‐PGn) and an anionic 5,10,15,20‐Tetrakis(4‐sulfonatophenyl) porphyrin (TPPS) to form micelles in aqueous solution. The PG segments binds excessive TPPS with amplenet chargeto form hydrophilic corona, while the PEO segments are unprecedentedly dehydrated and tightly packed into cores. Upon naturally drying the micellar solution on a silicon wafer, PEO crystallizationdirects the micelles to aggregate into square nanoplates, which are further connected to nanoprisms. Length and width of the nanoprisms can be facilely tuned by varying the initial concentration. In this hierarchical process, the aqueous self‐assembly is prerequisite and the water evaporation rate is crucial for the formation of nanostructures, which provides multiple factors for morphology regulating. Such precise size‐control strategy is highly expected to provide a new vision for the design of advanced materials with size controllable anisotropic nanostructures.
The Key Effect of Carboxyl Group and CuN2O2 Coordinate Structure for Cu, N Co‐Doped Carbon Dots with Peroxidase‐Like Property
Authors: Ma Yurong , Zhang Mengling , Wu Jie , Zhao Yajie , Du Xin , Huang Hui , Zhou Yunjie , Liu Yang , Kang Zhenhui
Published: April 2023

Carbon dots (CDs) with good water solubility and biocompatibility have become a research hotspot in the nano‐enzyme and biomedical field. However, the problems of low catalytic activity and ambiguous catalytic site of CDs as nanozymes still need to be addressed. In this work, CDs loaded with Cu single atoms are obtained through pyrolysis, and the coordination structure and surface functional groups are regulated by adjusting the pyrolysis temperature. CDs obtained at 300 °C (named Cu‐CDs‐300) have the most carboxyl content and Cu is coordinated in the form of CuN2O2, which can better decompose H2O2 to produce free radical and is beneficial to catalyze the oxidation of 3,3′,5,5′‐tetramethylbenzidine (TMB). The vmax is 6.56*10−7 m s−1, 6.56 times higher than that of horseradish peroxidase (HRP). Moreover, Cu‐CDs‐300 can effectively lead to CT26 apoptosis by generating much free radicals. This work demonstrates the synergistic effect of oxygen‐containing functional groups and metal coordination structures on peroxide‐like activity of CDs and provides new ideas for the design of clear active structure and high efficiency peroxide‐like single atom CDs catalyst.
Site‐Selective Chiral Growth of Anisotropic Au Triangular Nanoplates for Tuning the Optical Chirality
Authors: Tao Yunlong , Sun Lichao , Liu Chuang , Yang Guizeng , Sun Xuehao , Zhang Qingfeng
Published: April 2023

Site‐selective chiral growth of anisotropic nanoparticles is of great importance to realize the plasmonic nanostructures with delicate geometry and desired optical chirality; however, it remains largely unexplored. This work demonstrates a controlled site‐selective chiral growth system based on the seed‐mediated growth of anisotropic Au triangular nanoplates. The site‐selective chiral growth involves two distinct underlying pathways, faceted growth and island growth, which are interswitchable upon maneuvering the interplay of chiral molecules, surfactants, and reducing agents. The pathway switch governs the geometric and chirality evolution of Au triangular nanoplates, giving rise to tailorable circular dichroism spectra. The ability to tune the optical chirality in a controlled manner by manipulating the site‐selective chiral growth pathway opens up a promising strategy for exploiting chiral metamaterials with increasing architectural complexity in chiroptical applications.
Contact Engineering of Halide Perovskites: Gold is Not Good Enough; Metalloid is Better
Authors: Lai Zhengxun , Zhang Yuxuan , Meng You , Bu Xiuming , Wang Wei , Xie Pengshan , Wang Weijun , Liu Chuntai , Yip SenPo , Ho Johnny C.
Published: April 2023

The operation stability of halide perovskite devices is the critical issue that impedes their commercialization. The main reasons are that the ambient H2O molecules can easily deteriorate the perovskites, while the metal electrodes react in different degrees with the perovskites. Herein, one kind of new electrode, the metalloids, is reported, which are much more stable than the conventional noble metals as electrical contacts for halide perovskites. The degradation mechanism of halide perovskites with noble metal electrodes is carefully studied and compared with the metalloid electrodes. It is found that the iodide ions can easily halogenate Cu and Ag in halide perovskites. Although Au is almost not halogenated, it can also decompose the perovskite film. On the contrary, after long‐term storage, the metalloid electrodes remain intact on the perovskite film without any degradation. In addition, the long‐time operation stability of the perovskite devices with metalloid electrodes is much higher than that of noble metals. First‐principles calculations confirm the exceptional stability of the metalloid electrodes.This work explores the ultra‐stable electrodes for halide perovskites, paving the way to the large‐scale deployment of perovskite‐based electronic devices.
Metal Oxide‐Supported Metal Catalysts for Electrocatalytic Oxygen Reduction Reaction: Characterization Methods, Modulation Strategies, and Recent Progress
Authors: Wang Siyuan , Wang Miao , Zhang Yunze , Wang Hongsheng , Fei Hao , Liu Ruoqi , Kong Hui , Gao Ruijie , Zhao Siyuan , Liu Tong , Wang Yuhao , Ni Meng , Ciucci Francesco , Wang Jian
Published: April 2023

The sluggish kinetics of the oxygen reduction reaction (ORR) with complex multielectron transfer steps significantly limits the large‐scale application of electrochemical energy devices, including metal–air batteries and fuel cells. Recent years witnessed the development of metal oxide‐supported metal catalysts (MOSMCs), covering single atoms, clusters, and nanoparticles. As alternatives to conventional carbon‐dispersed metal catalysts, MOSMCs are gaining increasing interest due to their unique electronic configuration and potentially high corrosion resistance. By engineering the metal oxide substrate, supported metal, and their interactions, MOSMCs can be facilely modulated. Significant progress has been made in advancing MOSMCs for ORR, and their further development warrants advanced characterization methods to better understand MOSMCs and precise modulation strategies to boost their functionalities. In this regard, a comprehensive review of MOSMCs for ORR is still lacking despite this fast‐developing field. To eliminate this gap, advanced characterization methods are introduced for clarifying MOSMCs experimentally and theoretically, discuss critical methods of boosting their intrinsic activities and number of active sites, and systematically overview the status of MOSMCs based on different metal oxide substrates for ORR. By conveying methods, research status, critical challenges, and perspectives, this review will rationally promote the design of MOSMCs for electrochemical energy devices.
Spin‐Selective Coupling in Mott–Schottky Er2O3‐Co Boosts Electrocatalytic Oxygen Reduction
Authors: Wang Xuan , Li Meng , Wang Pu , Sun Dongmei , Ding Linfei , Li Hao , Tang Yawen , Fu Gengtao
Published: April 2023

Alkaline oxygen reduction reaction (ORR) is critical to electrochemical energy conversion technology, yet the rational breaking of thermodynamic inhibition for ORR through spin regulation remains a challenge. Herein, a Mott–Schottky catalyst consisting of Er2O3‐Co particles uniformly implanted into carbon nanofibers (Er2O3‐Co/CNF) is designed for enhancing ORR via spin‐selective coupling. The optimized Er2O3‐Co/CNF affords a high half‐wave potential (0.835 V vs reversible hydrogen electrode, RHE) and onset potential (0.989 VRHE) for the ORR surpassing individual Co/CNF and Er2O3/CNF. Theoretical calculations reveal the introduction of Er2O3 optimizes the electronic structure of Co through Er(4f)‐O(2p)‐Co(3d) gradient orbital coupling, resulting in significantly enhanced ORR performance. Through gradient orbital coupling, the induced spin‐up hole in Co 3d states endows the Er‐O‐Co unit active site with a spin‐selective coupling channel for electron transition. This favors the decrease of the energy gap in the potential‐limiting step, thus achieving a high theoretical limiting potential of 0.77 VRHE for the Er2O3‐Co. Moreover, the potential practicability of Er2O3‐Co/CNF as an air‐cathode is also demonstrated in Zn‐air batteries. This work is believed to provide, new perspectives for the design of efficient ORR electrocatalysts by engineering spin‐selective coupling induced by rare‐earth oxides.
In Situ Solution‐Processed Submicron Thick SiOxCy/a‐SiNx(O):H Composite Barrier Film for Polymer:Non‐Fullerene Photovoltaics
Authors: Qin Jian , Wu Na , Chen Wei , Liu Bowen , Wang Zhenguo , Zhang Lianping , Yin Ni , Chen Qi , Zhang Zong‐Bo , Ma Chang‐Qi
Published: April 2023

Aiming to improve the environmental stability of organic photovoltaics, a multilayered SiOxCy/a‐SiNx(O):H composite barrier film coated with a hydrophobic perfluoro copolymer stop layer for polymer:non‐fullerene solar cells is developed. The composite film is prepared by spin‐coating of polysilicone and perhydropolysilazane (PHPS) following a densification process by vacuum ultraviolet irradiation in an inert atmosphere. The transformation of polysilicone and PHPS to SiOxCy and a‐SiNx(O):H is confirmed by Fourier transform infrared and energy‐dispersive X‐ray spectroscopy measurement. However, the as‐prepared PHPS‐derived silicon nitride (PDSN) can react with moisture in the ambient atmosphere, yielding microscale defects and a consequent poor barrier performance. Treating the incomplete PDSN with methanol vapor significantly densifies the film yielding low water vapor transmission rates (WVTRs)of 5.0 × 10−1 and 2.0 × 10−1 g m−2 d−1 for the one‐ and three‐couple of SiOxCy/a‐SiNx(O):H (CON) composite films, respectively. By incorporating a thin hydrophobic perfluoro copolymer layer, the three‐coupled methanol‐treated CON film with a total thickness of 600 nm shows an extremely low WVTR of 8.7 × 10−4 g m−2 d−1. No performance decay is measured for the PM6:Y6 and PM6:L8‐BO cells after such an encapsulation process. These encapsulated polymer cells show good stability storaged at 25 °C/50% relative humidity, or under simulated extreme rainstorm tests.
Nonradiative Recombination Dominates Voltage Losses in Cu(In,Ga)Se2Solar Cells Fabricated using Different Methods
Authors: Bothwell Alexandra M. , Wands Jake , Miller Michael F. , Kanevce Ana , Paetel Stefan , Tsoulka Polyxeni , Lepetit Thomas , Barreau Nicolas , Valdes Nicholas , Shafarman William , Rockett Angus , Arehart Aaron R. , Kuciauskas Darius
Published: April 2023

Voltage losses reduce the photovoltaic conversion efficiency of thin‐film solar cells and are a primary efficiency limitation in Cu(In,Ga)Se2. Herein, voltage loss analysis of Cu(In,Ga)Se2solar cells fabricated at three institutions with variation in process, bandgap, absorber structure, postdeposition treatment (PDT), and efficiency is presented. Nonradiative voltage losses due to Shockley–Read–Hall charge carrier recombination dominate and constitute >75% of the total compared to <25% from radiative voltage losses. The radiative voltage loss results from nonideal absorption and carriers in band tails that stem from local composition‐driven potential fluctuations. It is shown that significant bulk lifetime improvements are achieved for all alkali PDT processed absorbers, chiefly associated with reductions in nonradiative recombination. Primary voltage loss contributions (radiative and nonradiative) change little across fabrication processes, but variation in submechanisms (bulk lifetime, net acceptor concentration, and interface recombination) differentiate nonradiative loss pathways in this series of solar cells.
Photovoltaic Deployment Scenarios toward Global Decarbonization: Role of Disruptive Technologies
Authors: Stanbery Billy J. , Woodhouse Michael , van de Lagemaat Jao
Published: April 2023

To totally decarbonize global electrical systems using photovoltaics (PVs) in the 2050–2060 decade, the world would need to install 63.4 TW of PV. This article models and explores how a PV manufacturing ramp‐up trajectory toward this goal can be achieved while assuming that investors continue to make financially rational decisions avoiding stranded production assets and therefore protecting their return on investment. The model effectively exploits experience curve benefits in both the scaling of the manufacturing process and continued progress in product design technologies. The scale‐up challenge is amplified because trajectories that achieve this goal require an unprecedented ramp‐up of production capacity over just two decades, followed by relatively modest demand to maintain the installed base and support continued population growth. It is demonstrated that sustainable ramp‐up of manufacturing is indeed possible and shown that the deployment of the requisite manufacturing capacity can be accelerated and accomplished at lower total capital cost by the introduction of disruptive technologies that have lower capital intensity, embedded energy, or higher efficiency.
Ternary Organic Solar Cells with Binary Additives Finely Regulated Active Layer Morphology and Improved Photovoltaic Performance
Authors: Yan Yujiao , Li Xiong , Zhang Fenghua , Li Mandi , Zhou Jun , Lin Tao , Zhu Yaohui , Xu Denghui
Published: April 2023

Solvent additive can be used to regulate active layer morphology and improve photovoltaic performance of organic solar cells (OSCs). Herein, the PM6:Y6:PC71BM ternary bulk heterojunction OSCs are prepared by introducing 1,8‐diiodooctane (DIO) and 1‐chloronaphthalene (CN) as binary additives. On the basis of optimizing the photovoltaic performance with CN additive, the addition of trace amounts of DIO additive further improves the molecular packing of active layer and induces Y6:PC71BM acceptor on the surface of active layer. With the optimized active layer morphology, the CN and DIO binary additives restrict carrier recombination and improve charge transport efficiently, and the prepared PM6:Y6:PC71BM ternary OSCs with binary additives demonstrate a high short‐circuit current density of 27.15 mA cm−2 and a fill factor of 76.79%, and yield an improved power conversion efficiency of 17.53%, which is higher than that of devices without additives (16.50%) and with DIO (16.79%) or CN additive (17.21%). Binary solvent additives engineering provides an effective strategy to finely regulate active morphology and boost photovoltaic performance of ternary OSCs.
Detection of microservice‐based software anomalies based on OpenTracing in cloud
Authors: Khanahmadi Mohammad , Shameli‐Sendi Alireza , Jabbarifar Masoume , Fournier Quentin , Dagenais Michel
Published: April 2023

Today, the noticeable tendency of the software industry to break large software projects into loosely coupled modules through a microservice‐based architecture is more than ever. This is because of advantages such as scalability, independence, smaller and faster deployments, improved fault isolation, and flexibility. On the other hand, it should be noted that with the growth of microservice architecture, new complexities have emerged. We need to have a mature DevOps team to handle the complexity involved in maintaining and supporting systems, namely functional and non‐functional monitoring (anomaly monitoring and detection). This challenge can lead to a lot of software development time being spent monitoring and identifying anomalies. Existing approaches are not accurate enough to identify anomalies, and if they are able to identify them, they are unable to identify the category of the anomaly. Our approach in this research is to use distributed tracing with the help of machine learning algorithms to identify performance anomalies, the exact location of each anomaly, and predict its category. In this research, we implemented a software based on microservice architecture and then created a variety of anomalies over time (e.g., physical resources, virtual resources, database, application) to be able to evaluate the proposed model. The resulting dataset is publicly available. Our simulation results show that the proposed model is able to accurately identify the anomalies with 98% accuracy and their category with 99% accuracy.
Improving the Resistance to Enzyme Digestion of Rice Debranched Starch via Narrowing Chain Length Distribution Combined with Oven Drying
Authors: Wang Yunchun , Wu Zeyu , Lin Yanting , Hui Ailing , Tao Han , Shah Alia , Liu Qingsong , Li Jianwen , Li Shengnan , Liu Hao , Zhang Wencheng
Published: April 2023

In this study, the effects of chain length distribution and drying methods on the structural properties and in vitro digestibility of resistant starch (RS) are investigated. Rice starch is debranched at 10% w/w solid concentrations, incubated at 60 °C, and further subjected to freeze drying and oven drying treatment to obtain debranched starch (DBS). The chain length distribution shows that DBS (the degree of polymerization [DP] = 19.52 ± 0.13) has a high proportion of B1 and B2 chains (DP13‐36) and a narrow chain length distribution. In addition, the results of scanning electron microscopy (SEM) show that the oven‐dried samples have denser structures and larger particle morphology compared to samples prepared by freeze‐drying. In FTIR, LCM‐Raman and X‐ray diffraction patterns, debranched starch supernatant fraction 1 (DBSS1) exhibit higher short‐range molecular order and crystallinity than other samples. Digestibility analysis shows that DBSS1 with narrow chain length distribution (DP13‐36) promotes the high content of RS formation and oven drying is more favorable for RS formation than freeze drying (RSDBSFS1 = 79.69 ± 5.09% and RSDBSOS1 = 84.17 ± 0.17%). This suggests that the proper narrow chain length distribution is conducive to the formation of ordered structure and an increase in resistance. Oven drying provides a larger starch particle size, which facilitates resistance to digestion.
Testing species relationships and delimitation in the Amazonian hyperdominantAstrocaryumsectionHuicungo(Arecaceae) using chloroplast data from genome skimming
Authors: Rivas‐Chamorro Marinoli , Cadenillas Richard , Ge Xue‐Jun , Jin Lu , Millán Betty , Roncal Julissa
Published: April 2023

Hyperdominant trees in Amazonia account for half of the individual trees (>10 cm dbh) in the forest, and thus play a crucial role in ecosystem dynamics. However, several of these widespread hyperdominant species may be complexes hiding cryptic diversity that can affect species richness estimates and conservation priorities. Here, we study the intraspecific variation ofAstrocaryum murumuru(Arecaceae), a keystone and hyperdominant species in Amazonia, also known asAstrocaryumsect.Huicungo, a complex of 15 understory to subcanopy palm species. Using chloroplast DNA from genome skimming (>66 kbp alignment) in a Bayesian framework, we present evidence thatA. sect.Huicungorepresents three separately evolving lineages, suggesting that the section is not a single hyperdominant species, and that the 15 morphology‐based species may be an over‐representation. Genome skimming chloroplast data did not fully resolve the species‐level phylogenetic relationships inA. sect.Huicungomostly because of gene discordance and the paraphyly of most species. Contrary to a previous nuclear‐based phylogenetic analysis, the chloroplast genomic data did not recoverA. sect.Huicungomonophyletic, but yielded monophyly in an increased number of species (six) in the complex. Interspecific phylogenetic relationships showed a geographic pattern, and the traditional morphology‐based classification was not supported. Our phylogenomic results are discussed in light of earlier phylogeographical studies using Sanger sequencing. Our findings show the utility of genome skimming data in species delimitation analyses to uncover intraspecific variation of hyperdominant species in Amazonia, the largest evergreen tropical forest.
Introduction
Authors: Wen Chih-Yung , Jiang Yazhong , Shi Lisong
Published: April 2023

With the rapid development of electronic computers, numerical computation has become an important paradigm of scientific discovery as well as a powerful tool for engineering research. Solving complex problems in a computational fashion is more than applying theories, equations, and formulas. Computational methods, also called algorithms or schemes, have strong influences on the outcomes of computations.
Summary
Authors: Wen Chih-Yung , Jiang Yazhong , Shi Lisong
Published: April 2023

In this book, the space–time CESE method is introduced as a novel and distinctive numerical approach to solving conservation equations in engineering sciences. Also, from a historical perspective, the development of the CESE method since the 1990s has been reviewed and the remarkable improvements and extensions of the CESE method in the past few years has been summarized. Various applications of the CESE method have been presented to emphasize its numerical performance under different scenarios, including many research topics in engineering, such as compressible multi-fluid flows and detonations.
Non-dissipative Core Scheme of CESE Method
Authors: Wen Chih-Yung , Jiang Yazhong , Shi Lisong
Published: April 2023

This chapter is devoted to demonstrating the basic ideas in the CESE method. These ideas include the adoption of a space–time integral form of governing equations as the starting point of scheme construction, as well as the introduction of conservation element (CE) and solution element (SE) in the discretization of space–time domain. Then, the non-dissipative core scheme of the CESE method will be presented in detail.
Other Applications
Authors: Wen Chih-Yung , Jiang Yazhong , Shi Lisong
Published: April 2023

The CESE method has been applied to a wide range of scientific and engineering problems since its inception in the 1990s. Although solving CFD problem is the primary goal of the CESE method, this general approach is actually applicable to a variety of PDE systems with physical backgrounds different from fluid dynamics. This chapter mainly introduces the application highlights of CESE in several representative fields.
Abelian Actions on Pseudo-real Riemann Surfaces
Authors: Bujalance E. , Cirre F. J. , Rodríguez J.
Published: April 2023

A compact Riemann surface is called pseudo-real if it admits orientation-reversing automorphisms but none of them has order two. In this paper, we find necessary and sufficient conditions for the existence of an action on a pseudo-real surface of genus $$g\geqslant 2$$

g
⩾
2

of an abelian group containing orientation-reversing automorphisms. Several consequences are obtained, such as the solution of the minimum genus problem for such abelian actions.
The importance of time and space in biogeochemical heterogeneity and processing along the reservoir ecosystem continuum
Authors: Woelmer Whitney M. , Hounshell Alexandria G. , Lofton Mary E. , Wander Heather L. , Lewis Abigail S. L. , Scott Durelle , Carey Cayelan C.
Published: April 2023

Globally significant quantities of carbon (C), nitrogen (N), and phosphorus (P) enter freshwater reservoirs each year. These inputs can be buried in sediments, respired, taken up by organisms, emitted to the atmosphere, or exported downstream. While much is known about reservoir-scale biogeochemical processing, less is known about spatial and temporal variability of biogeochemistry within a reservoir along the continuum from inflowing streams to the dam. To address this gap, we examined longitudinal variability in surface water biogeochemistry (C, N, and P) in two small reservoirs throughout a thermally stratified season. We sampled total and dissolved fractions of C, N, and P, as well as chlorophyll-a from each reservoir’s major inflows to the dam. We found that heterogeneity in biogeochemical concentrations was greater over time than space. However, dissolved nutrient and organic carbon concentrations had high site-to-site variability within both reservoirs, potentially as a result of shifting biological activity or environmental conditions. When considering spatially explicit processing, we found that certain locations within the reservoir, most often the stream–reservoir interface, acted as “hotspots” of change in biogeochemical concentrations. Our study suggests that spatially explicit metrics of biogeochemical processing could help constrain the role of reservoirs in C, N, and P cycles in the landscape. Ultimately, our results highlight that biogeochemical heterogeneity in small reservoirs may be more variable over time than space, and that some sites within reservoirs play critically important roles in whole-ecosystem biogeochemical processing.
Self-harm and rurality in Canada: an analysis of hospitalization data from 2015 to 2019
Authors: Mahinpey Newsha , Pollock Nathaniel J. , Liu Li , Contreras Gisèle , Thompson Wendy
Published: April 2023

Purpose

The incidence of self-harm is an important indicator in suicide surveillance and a target outcome for suicide prevention. Self-harm rates vary by geographic location and rurality appears to be a risk factor. The objectives of this study were to estimate rates of self-harm hospitalization in Canada over a 5-year period by sex and age group, and examine relationships between self-harm and rurality.

Methods

Hospitalizations related to self-harm were identified in a national dataset (the Discharge Abstract Database) for all patients aged 10 years or older who were discharged from hospital between 2015 and 2019. Self-harm hospitalization rates were calculated and stratified by year, sex, age group, and level of rurality, as measured using the Index of Remoteness. A Poisson regression was fit to estimate rate ratios for the levels of rurality.

Results

Rates of self-harm hospitalization were higher for females than males across all levels of rurality and increased with each level for both sexes, except for among young males. The widest rural-to-urban disparities were observed for the 10–19 and 20–34-year old age groups. Females aged 10–19 in very remote areas had the highest self-harm hospitalization rate.

Conclusion

The rate of self-harm hospitalization in Canada varied by sex, age group, and level of rurality. Clinical and community-based interventions for self-harm, such as safety planning and increased access to mental health services, should be tailored to the differential risks across geographic contexts.
Rejection prices and an auctioneer with non-monotonic utility
Authors: Shui Zhonghao
Published: April 2023

This paper considers an auctioneer who has a non-monotonic utility function with a unique maximizer. The auctioneer is able to reject all bids over some amount by using rejection prices. We show that the optimal rejection price for such an auctioneer is lower than and equal to that maximizer in first-price and second-price sealed-bid auctions, respectively. Further, in each auction we characterize a necessary and sufficient condition that by using the optimal rejection price not only the auctioneer but also bidders can be better off, compared to a standard auction. Finally, we find that the auctioneer strictly prefers a first-price sealed-bid auction if he is risk-averse when his revenue is lower than the maximizer or if the distribution of revenues which are lower than the maximizer in a standard first-price sealed-bid auction is first-order stochastic dominant over the one in a standard second-price sealed-bid auction.
Hygroscopy and adaptive architectural façades: an overview
Authors: El-Dabaa Rana , Abdelmohsen Sherif
Published: April 2023

Hygroscopic properties of wood have been utilized in adaptive façades to respond to variation in humidity levels. Shape-shifting materials have been developed to replace mechanical actuators that respond to climatic variation with zero-energy consumption. This paper presents a systematic review of the literature on the use of hygromorphic behaviour in developing adaptive architectural façades, with the primary focus of identifying the venues of implementation of hygroscopic actuation in adaptive facades. The paper triangulates the intersection between hygroscopic design parameters with manufacturing strategies and their application as a passive motion mechanism in adaptive facades. This review focuses on state-of-the-art experimental work in hygroscopic design, with specific interest in manufacturing methods of hygromorphic adaptive façades, response motion behaviour evaluation and tracking, analysis of the current applications of hygromorphic design in real weather conditions, and performance prediction. Results reveal that most of the studied papers focus on the response behaviour of programmable materials to variation in moisture content and the implementation of hygroscopic design in adaptive façades. From the literature analysis, it was shown that programming the response behaviour of hygroscopic materials mainly takes place through variation in fabrication methods, followed by passive layer configurations, which act as actuators that are controlled by differences in layer properties.