ACS Applied Electronic Materials最新文献_第8页

Melamine-Derived Mesoporous Carbon for Efficient and Selective Removal of Trace Hg(II) from Honeysuckle Decoction 三聚氰胺衍生介孔碳用于高效、选择性地去除金银花煎剂中的痕量汞（II）

IF 3.7 3区材料科学

ACS Applied Electronic Materials Pub Date : 2024-11-01 DOI: 10.1021/acsomega.4c0326910.1021/acsomega.4c03269

Qing He, Kun Pang, Lin Tian, Yiqian Ma, Xiang Guo, Jianyong Zhang* and Ming Yu*,

{"title":"Melamine-Derived Mesoporous Carbon for Efficient and Selective Removal of Trace Hg(II) from Honeysuckle Decoction","authors":"Qing He, Kun Pang, Lin Tian, Yiqian Ma, Xiang Guo, Jianyong Zhang* and Ming Yu*, ","doi":"10.1021/acsomega.4c0326910.1021/acsomega.4c03269","DOIUrl":"https://doi.org/10.1021/acsomega.4c03269https://doi.org/10.1021/acsomega.4c03269","url":null,"abstract":"Melamine-derived mesoporous carbon, which was obtained from pyrolysis of modified melamine, was employed for the purpose of eliminating trace amounts of Hg(II) from honeysuckle decoction. The specific surface area of the mesoporous carbons with N-functional (MCN1) was 648.372 m2·g–1. The chemical composition and morphology of MCN1 were thoroughly examined, and a comprehensive analysis led to the identification of its formation mechanism. A noteworthy association has been identified between the adsorption efficacy and the chemical composition of MCN1. In the elimination of trace mercury in aqueous solutions over a broad pH range (pH 2–9), MCN1 demonstrates high effectiveness, approaching 100%. Adsorption kinetics and isotherm results indicate that a more accurate representation of Hg(II) adsorption on MCN1 is provided by pseudo-second-order kinetics and Freundlich models, with chemical adsorption being the dominant mechanism. This study further examined the removal of chlorogenic acid, a bioactive component, by MCN1. The findings imply that MCN1 has a noteworthy 80% efficacy in removing mercury from honeysuckle decoction while maintaining the purity of its medicinal ingredients, particularly chlorogenic acid. As a result, utilizing MCN1 for the adsorption of Hg(II) in honeysuckle decoction appears to be a reasonable approach.","PeriodicalId":3,"journal":{"name":"ACS Applied Electronic Materials","volume":"9 45","pages":"44931–44941 44931–44941"},"PeriodicalIF":3.7,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsomega.4c03269","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142608523","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Brief Report: Learning About Autism: Is the Source of Autism Knowledge Associated with Differences in Autism Knowledge, Autism Identity, and Experiences of Stigma. 简要报告：学习自闭症：自闭症知识的来源是否与自闭症知识、自闭症身份和耻辱感经历的差异有关。

IF 3.2 3区材料科学

ACS Applied Electronic Materials Pub Date : 2024-11-01 Epub Date: 2022-11-28 DOI: 10.1007/s10803-022-05823-5

Simon M Bury, Alex Haschek, Michael Wenzel, Jennifer R Spoor, Darren Hedley

引用次数: 0

Construction of Nonclassical Type-I Heterojunction for Efficient Photodegrading Tetracycline 构建用于高效光降解四环素的非经典 I 型异质结

IF 3.8 3区材料科学

ACS Applied Electronic Materials Pub Date : 2024-11-01 DOI: 10.1021/acs.iecr.4c0322910.1021/acs.iecr.4c03229

Huan Yan, Xinhui Lu, Guoqiang Shen, Yangrui Xu, Xinping Zhang, Qinlan Luo*, Guosheng Zhou, Ziyang Lu*, Yangqiang Huang, Xiao Luo and Hao Chen*,

{"title":"Construction of Nonclassical Type-I Heterojunction for Efficient Photodegrading Tetracycline","authors":"Huan Yan, Xinhui Lu, Guoqiang Shen, Yangrui Xu, Xinping Zhang, Qinlan Luo*, Guosheng Zhou, Ziyang Lu*, Yangqiang Huang, Xiao Luo and Hao Chen*, ","doi":"10.1021/acs.iecr.4c0322910.1021/acs.iecr.4c03229","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c03229https://doi.org/10.1021/acs.iecr.4c03229","url":null,"abstract":"Traditional Type-I heterojunctions, the combination of large- and narrow-bandgap semiconductors, possess a long electron transmission path and an electron–hole confinement region, making them not conducive to improving catalytic performance. Hence, few studies about the heterostructure combined with large and narrow bandgap in chemocatalysis were invested, especially in terms of reaction mechanism. Herein, a narrow bandgap (CdS) and a large bandgap (hexagonal boron nitride, h-BN) were selected as the research objects to fabricate h-BN/CdS heterojunction by Joule heating by an ultrafast heating procedure. Density functional theory (DFT) calculations were performed and showed that in the h-BN/CdS heterojunctions photogenerated electrons (e–) transferred from h-BN to CdS, while the photogenerated holes (h+) moved conversely, which is completely different from that of classical Type-I heterojunctions. Thus, a nonclassical Type-I h-BN/CdS heterojunction was successfully constructed, as proved by DFT calculations and experimental verification, which revealed excellent visible light response and photocatalytic degradation ability of tetracycline (TC). The optimized h-BN/CdS heterojunction exhibited a high degradation rate of 84.78% under visible light irradiation. Additionally, the applicability of h-BN/CdS heterojunction was expanded to photodegradation of different water environments. A nonclassical Type-I heterojunction that combined large- and narrow-bandgap materials was proposed, which opened up a new path for efficient photocatalysis in antibiotic wastewater degradation.","PeriodicalId":3,"journal":{"name":"ACS Applied Electronic Materials","volume":"63 45","pages":"19589–19599 19589–19599"},"PeriodicalIF":3.8,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142608065","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Elucidation on the In Vivo Activity of the Bivalent Opioid Peptide MACE2 against Several Types of Chronic Pain 阐明二价阿片肽 MACE2 对几种慢性疼痛的体内活性

IF 3.7 3区材料科学

ACS Applied Electronic Materials Pub Date : 2024-11-01 DOI: 10.1021/acsomega.4c0644910.1021/acsomega.4c06449

Azzurra Stefanucci*, Lorenza Marinaccio, Stefano Pieretti, Joseph A. Mancuso, Carrie Stine, John M. Streicher and Adriano Mollica,

{"title":"Elucidation on the In Vivo Activity of the Bivalent Opioid Peptide MACE2 against Several Types of Chronic Pain","authors":"Azzurra Stefanucci*, Lorenza Marinaccio, Stefano Pieretti, Joseph A. Mancuso, Carrie Stine, John M. Streicher and Adriano Mollica, ","doi":"10.1021/acsomega.4c0644910.1021/acsomega.4c06449","DOIUrl":"https://doi.org/10.1021/acsomega.4c06449https://doi.org/10.1021/acsomega.4c06449","url":null,"abstract":"Biphalin is a bivalent μ/δ opioid receptor agonist showing a promising therapeutic profile with reduced side effects, but as a peptide is limited by poor metabolic stability and blood-brain barrier penetration. To improve these features, we developed the ligand MACE2 and showed initial in vivo efficacy. To further explore the druggability of this ligand, in this report, we tested MACE2 metabolic stability in human plasma, receptor engagement by 3 different routes of administration using the tail-flick test, and MACE2 efficacy in 2 different pathological and chronic pain models. We found that MACE2 had high stability in plasma and could produce target engagement and a tail flick response. We also showed that MACE2 had high analgesic efficacy in CIPN but no efficacy in paw incision. Together, these findings suggest that MACE2 has improved metabolic stability and brain penetration in vivo, prompting further development in clinical testing.","PeriodicalId":3,"journal":{"name":"ACS Applied Electronic Materials","volume":"9 45","pages":"45214–45220 45214–45220"},"PeriodicalIF":3.7,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsomega.4c06449","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142608466","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

New Low-Temperature Collector for Flotation Separation of Quartz and Hematite after Reduction Roasting and Its Mechanism 用于还原焙烧后浮选分离石英和赤铁矿的新型低温捕收剂及其机理

IF 3.7 3区材料科学

ACS Applied Electronic Materials Pub Date : 2024-11-01 DOI: 10.1021/acs.langmuir.4c0320710.1021/acs.langmuir.4c03207

Chenlu Chen, Xun Wang*, Xian Xie, Xiong Tong, Yuhang Zhu and Ruiqi Xie*,

{"title":"New Low-Temperature Collector for Flotation Separation of Quartz and Hematite after Reduction Roasting and Its Mechanism","authors":"Chenlu Chen, Xun Wang*, Xian Xie, Xiong Tong, Yuhang Zhu and Ruiqi Xie*, ","doi":"10.1021/acs.langmuir.4c0320710.1021/acs.langmuir.4c03207","DOIUrl":"https://doi.org/10.1021/acs.langmuir.4c03207https://doi.org/10.1021/acs.langmuir.4c03207","url":null,"abstract":"It is an effective method to separate hematite by converting it to magnetite by reduction roasting and then separating it by magnetite separation. However, quartz will partially remain in the concentrates. Therefore, it is significant to separate quartz from the concentrates to produce high-quality iron concentrates. In this work, N-{3-[(2-propylheptyl)oxy]propyl}propane-1,3-diamine (PPPDA) was synthesized and served as a collector for low-temperature flotation to separate quartz from magnetite that was generated by reduction roasting of hematite. The flotation experiment and principle of the PPPDA collector on quartz and the new generated magnetite surface were studied by flotation experiments, ζ potential measurement, Fourier transform infrared spectroscopy (FTIR), X-ray photoelectron spectroscopy (XPS), and density functional theory (DFT) calculations. Flotation data showed that, in the pH range of 5–9, when PPPDA dosage was 15 mg/L and temperature was 10–30 °C, PPPDA has good collecting ability on quartz minerals, which could make the recovery difference between quartz and the new generated magnetite reach more than 95%. Artificial mixed ore experiments at a low temperature of 10 °C yielded a concentrate with an iron grade of 64.41% and an iron recovery of 78.98%. The data of ζ potential, FTIR spectrum, and XPS and DFT calculations confirmed that PPPDA could not be adsorbed on the new generated magnetite, and the adsorption principle between PPPDA and quartz was mainly electrostatic adsorption and hydrogen bond adsorption.","PeriodicalId":3,"journal":{"name":"ACS Applied Electronic Materials","volume":"40 45","pages":"23986–23993 23986–23993"},"PeriodicalIF":3.7,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142608141","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Unveiling the Role of Strong Metal–Support Interactions in Gold-Catalyzed CO Oxidation on MnO2 Polymorphs 揭示 MnO2 多晶体上金催化一氧化碳氧化过程中强金属-支撑相互作用的作用

IF 3.7 3区材料科学

ACS Applied Electronic Materials Pub Date : 2024-11-01 DOI: 10.1021/acs.langmuir.4c0264010.1021/acs.langmuir.4c02640

Tiantian Zhang, Jiacheng Xu, Yan Sun, Shiyu Fang, Zuliang Wu, Erhao Gao, Jiali Zhu, Wei Wang, Shuiliang Yao* and Jing Li*,

{"title":"Unveiling the Role of Strong Metal–Support Interactions in Gold-Catalyzed CO Oxidation on MnO2 Polymorphs","authors":"Tiantian Zhang, Jiacheng Xu, Yan Sun, Shiyu Fang, Zuliang Wu, Erhao Gao, Jiali Zhu, Wei Wang, Shuiliang Yao* and Jing Li*, ","doi":"10.1021/acs.langmuir.4c0264010.1021/acs.langmuir.4c02640","DOIUrl":"https://doi.org/10.1021/acs.langmuir.4c02640https://doi.org/10.1021/acs.langmuir.4c02640","url":null,"abstract":"The effectiveness of gold (Au)-based catalysts in CO oxidation is significantly influenced by strong metal–support interactions with surface oxygen structures, the mechanisms of which remain elusive. To investigate this property, we selected γ-MnO2, featuring Mn(-O-)2Mn and Mn–O–Mn structural motifs, and β-MnO2, characterized by Mn–O–Mn linkages, as support materials. The CO oxidation process was investigated by fabricating Au nanoparticles supported on these two MnO2 polymorphs. Our findings reveal that Au supported on β-MnO2 substantially enhanced CO oxidation, in stark contrast to the inhibitory effect observed with Au on γ-MnO2. Using operando diffuse reflectance infrared Fourier transform spectroscopy coupled with mass spectrometry, we detected an increase in the production of surface-adsorbed oxygen following Au deposition on β-MnO2. Conversely, Au supported on γ-MnO2 resulted in a diminished capacity for surface oxygen adsorption. The presence of Au+ and Mn2+ ions was identified as pivotal for CO oxidation. Moreover, the engagement of the Mn(-O-)2Mn structure in the reaction was impaired after Au loading on γ-MnO2, and the regeneration of the Mn–O–Mn linkage was similarly hindered. We propose a mechanism for the interactions between Au and the oxygen species associated with Mn(-O-)2Mn and Mn–O–Mn structures on MnO2, offering insights into the divergent catalytic behaviors exhibited by different MnO2 polymorphs.","PeriodicalId":3,"journal":{"name":"ACS Applied Electronic Materials","volume":"40 45","pages":"23739–23753 23739–23753"},"PeriodicalIF":3.7,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142608017","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Quantitative Analysis of TPU Microstructure and Performance Optimization across Various Processing Conditions 不同加工条件下热塑性聚氨酯微观结构的定量分析与性能优化

IF 3.7 3区材料科学

ACS Applied Electronic Materials Pub Date : 2024-11-01 DOI: 10.1021/acs.langmuir.4c0309310.1021/acs.langmuir.4c03093

Guangzhi Jin, Yuzhen Gong, Jun Wang, Min Wang, Jiadong Wang, Runguo Wang*, Xuan Qin* and Yonglai Lu*,

{"title":"Quantitative Analysis of TPU Microstructure and Performance Optimization across Various Processing Conditions","authors":"Guangzhi Jin, Yuzhen Gong, Jun Wang, Min Wang, Jiadong Wang, Runguo Wang*, Xuan Qin* and Yonglai Lu*, ","doi":"10.1021/acs.langmuir.4c0309310.1021/acs.langmuir.4c03093","DOIUrl":"https://doi.org/10.1021/acs.langmuir.4c03093https://doi.org/10.1021/acs.langmuir.4c03093","url":null,"abstract":"Thermoplastic polyurethane (TPU) is essential in resource exploration, healthcare, automotive, and high-end recreational sports. Despite extensive research on TPU’s microstructures and their macroscopic properties, the impact of processing conditions like compression and injection molding remains underexplored. This study investigates the influence of processing conditions on TPU by preparing samples with varying hard segment contents using compression molding at 205 °C and injection molding at melt temperatures of 205, 210, 215, and 220 °C, followed by heat treatment at 120 °C for 12 h. Results indicate that injection-molded TPU at 205 °C exhibits lower hydrogen bonding, crystallinity, long period, interfacial thickness, and lamella thickness than compression-molded TPU, leading to higher Young’s modulus but lower elongation at break. As melt temperatures increase, these microstructural parameters decrease, reducing Young’s modulus and increasing elongation at break. Post heat treatment, microstructural parameters increase, aligning Young’s modulus with that of compression-molded samples, while elongation at break surpasses them. This suggests that heat treatment enhances microphase separation by rearranging hard and soft segments. our research reveals a consistent pattern across TPUs with varying hard segment contents, indicating that adjusting processing parameters can effectively regulate microstructure and performance, offering valuable insights for developing high-performance polyurethanes.","PeriodicalId":3,"journal":{"name":"ACS Applied Electronic Materials","volume":"40 45","pages":"23939–23950 23939–23950"},"PeriodicalIF":3.7,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142608443","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Promising Proteolysis-Targeting Chimera for Mutant p53-R175H 针对突变 p53-R175H 的蛋白水解嵌合体前景看好

IF 3.7 3区材料科学

ACS Applied Electronic Materials Pub Date : 2024-11-01 DOI: 10.1021/acsomega.4c0617710.1021/acsomega.4c06177

Xinzhe Zhuang, Yidan Guo, Xiaozi Sun, Jie Chen, Songbo Xie, Fengtang Yang* and Jingrui Li*,

{"title":"Promising Proteolysis-Targeting Chimera for Mutant p53-R175H","authors":"Xinzhe Zhuang, Yidan Guo, Xiaozi Sun, Jie Chen, Songbo Xie, Fengtang Yang* and Jingrui Li*, ","doi":"10.1021/acsomega.4c0617710.1021/acsomega.4c06177","DOIUrl":"https://doi.org/10.1021/acsomega.4c06177https://doi.org/10.1021/acsomega.4c06177","url":null,"abstract":"The tumor suppressor protein p53 is among the most commonly mutated proteins across a variety of cancer types. Notably, the p53 R175H mutation ranks as one of the most prevalent hotspot mutations. Proteolysis-targeting chimeras (PROTACs) represent a class of bifunctional molecules capable of harnessing the cellular ubiquitin-proteasome pathway to facilitate targeted protein degradation. Despite the potential of PROTACs, limited research has been directed toward the degradation of the p53-R175H mutant protein. In this study, we developed a series of peptide-based PROTACs, leveraging known peptide ligands for both the p53-R175H mutation and the E3 ubiquitin ligase VHL. Our findings indicate that one of these peptide-based PROTACs is capable of directing the p53-R175H protein to the proteasome for degradation within a recombinant expression system. Moreover, by synthesizing a fusion peptide PROTAC molecule that incorporates a membrane-penetrating peptide, we have demonstrated its ability to traverse cellular membranes and subsequently reduce the levels of the p53-R175H mutant protein. Importantly, the degradation of p53-R175H was found to mitigate the cellular migration and invasion. In summary, our study introduces a novel class of protein degraders and establishes a foundational framework for the therapeutic management of cancers associated with p53 mutations.","PeriodicalId":3,"journal":{"name":"ACS Applied Electronic Materials","volume":"9 45","pages":"45138–45146 45138–45146"},"PeriodicalIF":3.7,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsomega.4c06177","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142608450","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Conception and Optimization of Extraction-Free Loop-Mediated Isothermal Amplification Detection of Dry Rot Fungus Serpula lacrymans 干腐菌 Serpula lacrymans 的无萃取环介导等温扩增检测方法的构思与优化

IF 3.7 3区材料科学

ACS Applied Electronic Materials Pub Date : 2024-11-01 DOI: 10.1021/acsomega.4c0550910.1021/acsomega.4c05509

Vanessa Lapointe, Myriam Roy, Stéphanie Rose, Yvan Boutin and Frédéric Couture*,

{"title":"Conception and Optimization of Extraction-Free Loop-Mediated Isothermal Amplification Detection of Dry Rot Fungus Serpula lacrymans","authors":"Vanessa Lapointe, Myriam Roy, Stéphanie Rose, Yvan Boutin and Frédéric Couture*, ","doi":"10.1021/acsomega.4c0550910.1021/acsomega.4c05509","DOIUrl":"https://doi.org/10.1021/acsomega.4c05509https://doi.org/10.1021/acsomega.4c05509","url":null,"abstract":"The use of nucleic acid-based detection tools for microorganisms and fungi has become a gold standard. This is particularly the case for wood-decaying fungi like Serpula lacrymans, which are hard to discriminate based on macroscopic and microscopic observations. This dry rot is important to detect as it is particularly destructive in an infested building, which requires immediate action to prevent spreading and significant damage to structural elements. Through the development and optimization of loop-mediated isothermal amplification against S. lacrymans-specific rDNA internal transcribed spacer region, we demonstrate that it is possible to achieve rapid and specific amplification without nonspecific self-amplification in a similar range as real-time quantitative PCR without any necessary DNA isolation using a colorimetric detection assay. Through a combined set of self-amplification minimization along with hand-held sample homogenization, the LAMP assay was optimized to provide a femtogram-range assay capable of confirming identification in a real field sample either predominantly composed of S. lacrymans or containing the fungus while remaining negative when tested on different types of fungi found in basement-collected samples.","PeriodicalId":3,"journal":{"name":"ACS Applied Electronic Materials","volume":"9 45","pages":"45080–45089 45080–45089"},"PeriodicalIF":3.7,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsomega.4c05509","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142608451","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Weyl Characteristics Induced an Anomalous Hall Effect in Double Half-Heusler Alloy Cr2FeCoAs2: A Density-Functional Study 双半赫斯勒合金 Cr2FeCoAs2 中韦尔特性诱发的反常霍尔效应：密度函数研究

IF 4.3 3区材料科学

ACS Applied Electronic Materials Pub Date : 2024-11-01 DOI: 10.1021/acsaelm.4c0153210.1021/acsaelm.4c01532

Gang Bahadur Acharya, Bishnu Karki, Madhav Prasad Ghimire and Bhuvanesh Srinivasan*,

{"title":"Weyl Characteristics Induced an Anomalous Hall Effect in Double Half-Heusler Alloy Cr2FeCoAs2: A Density-Functional Study","authors":"Gang Bahadur Acharya, Bishnu Karki, Madhav Prasad Ghimire and Bhuvanesh Srinivasan*, ","doi":"10.1021/acsaelm.4c0153210.1021/acsaelm.4c01532","DOIUrl":"https://doi.org/10.1021/acsaelm.4c01532https://doi.org/10.1021/acsaelm.4c01532","url":null,"abstract":"Magnetic Weyl semimetals can exhibit a significant electronic transport behavior known as the anomalous Hall effect caused by the inherent Berry curvature generated by Weyl fermions. This study presents the result of density-functional theory analysis focusing on the magnetic ground state, electronic properties, topological Weyl properties, nontrivial surface state, and anomalous Hall effect of the double half-Heusler compound Cr2FeCoAs2. We determined that Cr2FeCoAs2 acts as a ferrimagnetic half-metal with a total spin magnetic moment of 6 μB per unit cell. This system is particularly interesting as it features one insulating and one metallic topological channel. The minority-spin insulating channel shows an energy band gap of 1.26 eV. The majority spin channel consists of several sets of low-energy Weyl points. Among them, four exactly lie at the Fermi level. The chiral Weyl nodes, breaking time-reversal symmetry and protected by mirror symmetry, act as the monopole source and sink of the Berry curvature and provide a large intrinsic anomalous Hall conductivity approaching −190 Ω–1 cm–1 at the Fermi level and −370 Ω–1 cm–1 at 170 meV, which is comparable to those of topological magnetic materials. Additionally, nontrivial surface states are clearly present in Cr2FeCoAs2. Our work will support future experimental investigations into the previously unexplored topological phenomena of Cr2FeCoAs2.","PeriodicalId":3,"journal":{"name":"ACS Applied Electronic Materials","volume":"6 11","pages":"8260–8268 8260–8268"},"PeriodicalIF":4.3,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142713483","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0