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Expression of concern: "Hydrogen-rich saline improves memory function in a rat model of amyloid-beta-induced Alzheimer's disease by reduction of oxidative stress" [BRAIN RES, Volume 1328 (2010) 152-161]. 关注的表达:“富氢盐水通过减少氧化应激改善淀粉样β诱导的阿尔茨海默病大鼠模型的记忆功能”[BRAIN RES, vol . 1328(2010) 152-161]。
IF 2.7 4区 医学
Brain Research Pub Date : 2025-08-15 Epub Date: 2025-05-19 DOI: 10.1016/j.brainres.2025.149685
Jian Li, Cai Wang, John H Zhang, Jian-Mei Cai, Yun-Peng Cao, Xue-Jun Sun
{"title":"Expression of concern: \"Hydrogen-rich saline improves memory function in a rat model of amyloid-beta-induced Alzheimer's disease by reduction of oxidative stress\" [BRAIN RES, Volume 1328 (2010) 152-161].","authors":"Jian Li, Cai Wang, John H Zhang, Jian-Mei Cai, Yun-Peng Cao, Xue-Jun Sun","doi":"10.1016/j.brainres.2025.149685","DOIUrl":"https://doi.org/10.1016/j.brainres.2025.149685","url":null,"abstract":"","PeriodicalId":9083,"journal":{"name":"Brain Research","volume":"1861 ","pages":"149685"},"PeriodicalIF":2.7,"publicationDate":"2025-08-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144233127","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Expression of concern: "Sulforaphane protects brains against hypoxic-ischemic injury through induction of Nrf2-dependent phase 2 enzyme" [BRAIN RES, Volume 1343 (2010) 178-185]. 关注的表达:“萝卜硫素通过诱导nrf2依赖性2期酶保护大脑免受缺氧缺血性损伤”[BRAIN RES, vol . 43(2010) 178-185]。
IF 2.7 4区 医学
Brain Research Pub Date : 2025-08-15 Epub Date: 2025-05-08 DOI: 10.1016/j.brainres.2025.149686
Zhang Ping, Wenwu Liu, Zhimin Kang, Jianmei Cai, Qiusha Wang, Ni Cheng, Sujian Wang, Shizhong Wang, John H Zhang, Xuejun Sun
{"title":"Expression of concern: \"Sulforaphane protects brains against hypoxic-ischemic injury through induction of Nrf2-dependent phase 2 enzyme\" [BRAIN RES, Volume 1343 (2010) 178-185].","authors":"Zhang Ping, Wenwu Liu, Zhimin Kang, Jianmei Cai, Qiusha Wang, Ni Cheng, Sujian Wang, Shizhong Wang, John H Zhang, Xuejun Sun","doi":"10.1016/j.brainres.2025.149686","DOIUrl":"https://doi.org/10.1016/j.brainres.2025.149686","url":null,"abstract":"","PeriodicalId":9083,"journal":{"name":"Brain Research","volume":"1861 ","pages":"149686"},"PeriodicalIF":2.7,"publicationDate":"2025-08-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144233129","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Finite element and experimental investigation of the inclined pull-out behavior of hooked-end steel fibers from carbon nanotube-reinforced ultra-high performance concrete 碳纳米管增强超高性能混凝土钩端钢纤维倾斜拉拔性能的有限元与试验研究
IF 7.4 1区 工程技术
Construction and Building Materials Pub Date : 2025-07-04 DOI: 10.1016/j.conbuildmat.2025.142551
Hakan Çağlar
{"title":"Finite element and experimental investigation of the inclined pull-out behavior of hooked-end steel fibers from carbon nanotube-reinforced ultra-high performance concrete","authors":"Hakan Çağlar","doi":"10.1016/j.conbuildmat.2025.142551","DOIUrl":"10.1016/j.conbuildmat.2025.142551","url":null,"abstract":"<div><div>This research investigates, both numerically and experimentally, the combined effects of carbon nanotube (CNT) and inclination on the pull-out performance of hooked-end steel fibers embedded in CNT-reinforced ultra-high performance concrete (UHPC). For numerical simulation, the finite element method (FEM) was employed using ABAQUS software, with modeling implemented based on cohesive zone theory (CZM). The mechanical properties of the CNT-reinforced UHPC, along with the CZM parameters, were derived from experimental testing across a range of CNT weight percentages (0 %, 0.1 %, 0.2 %, 0.4 %, and 0.6 %). These experimental tests included inclined pull-out tests of both straight and hooked-end steel fibers from UHPC specimens incorporating the aforementioned CNT concentrations. Following validation of the FEM results, a parametric study was conducted to estimate the influence of inclination angle and CNT content on the pull-out response, including peak pull-out force, slip at peak force, pull-out energy, and the extent of matrix spalling observed in each configuration. Results indicate that the inclusion of CNTs enhances the fiber-matrix bond, leading to improved pull-out resistance.</div></div>","PeriodicalId":288,"journal":{"name":"Construction and Building Materials","volume":"490 ","pages":"Article 142551"},"PeriodicalIF":7.4,"publicationDate":"2025-07-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144548462","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Toward immune tolerance in rheumatoid arthritis: Emerging immunotherapies and targets for long-term remission 类风湿关节炎的免疫耐受:新兴的免疫疗法和长期缓解的目标
IF 4.8 2区 医学
International immunopharmacology Pub Date : 2025-07-04 DOI: 10.1016/j.intimp.2025.115162
Ali Afshari , Hossein Khorramdelazad , Mitra Abbasifard
{"title":"Toward immune tolerance in rheumatoid arthritis: Emerging immunotherapies and targets for long-term remission","authors":"Ali Afshari ,&nbsp;Hossein Khorramdelazad ,&nbsp;Mitra Abbasifard","doi":"10.1016/j.intimp.2025.115162","DOIUrl":"10.1016/j.intimp.2025.115162","url":null,"abstract":"<div><div>Rheumatoid arthritis (RA) is a chronic autoimmune disorder that affects approximately 1 % of the global population. It is characterized by immune dysfunction leading to synovitis and joint damage. Despite advancements in biologic and personalized synthetic disease-modifying anti-rheumatic drugs (DMARDs), definitive solutions remain elusive. This review explores novel immunotherapies, such as antigen-specific tolerizing immunotherapy (ASITI) and immune checkpoint agonism, designed to retrain the immune system for sustained remission. ASITI-RA strategies specifically target autoreactive T and B cells while preserving immune competence, including tolerogenic dendritic cells (tolDCs), nanoparticle-based therapies, and soluble peptides. Clinical trials, including Rheumavax and calcitriol liposomes, demonstrate safety and immunomodulatory promise, particularly in early RA. Programmed cell death-1 (PD-1) agonists, like rosnilimab, show potential in restoring immune homeostasis by reducing pathogenic T cell responses. Furthermore, combining cell apoptosis protein (cIAP) inhibitors with tumor necrosis factor-alpha (TNF-α) inhibition reveals synergistic effects in preclinical models, suggesting extended therapeutic benefits. Challenges include patient classification, biomarker detection, and long-term safety. These therapies represent a paradigm shift from broad immunosuppression to targeted immune reprogramming, offering hope for antigen-specific, drug-free remission in RA.</div></div>","PeriodicalId":13859,"journal":{"name":"International immunopharmacology","volume":"162 ","pages":"Article 115162"},"PeriodicalIF":4.8,"publicationDate":"2025-07-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144549408","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Can being competitive but unsuccessful harm you, even more so if you are a woman? 竞争但不成功会对你造成伤害吗?如果你是女性,伤害会更大吗?
IF 2.3 3区 经济学
Journal of Economic Behavior & Organization Pub Date : 2025-07-04 DOI: 10.1016/j.jebo.2025.107108
Simone Haeckl , Jakob Moeller , Anita Zednik
{"title":"Can being competitive but unsuccessful harm you, even more so if you are a woman?","authors":"Simone Haeckl ,&nbsp;Jakob Moeller ,&nbsp;Anita Zednik","doi":"10.1016/j.jebo.2025.107108","DOIUrl":"10.1016/j.jebo.2025.107108","url":null,"abstract":"<div><div>We investigate the fairness views of impartial spectators toward workers who behave competitively but are unsuccessful in a winner-take-all, real-effort task. In an online experiment with more than 5800 participants, spectators show significantly less concern for unsuccessful workers who voluntarily entered a competition for pay or behaved selfishly by trying to sabotage, compared to those who had to compete. We do not find evidence that women are punished more for competitive behavior than men, unless spectators have very strong gender norms.</div></div>","PeriodicalId":48409,"journal":{"name":"Journal of Economic Behavior & Organization","volume":"236 ","pages":"Article 107108"},"PeriodicalIF":2.3,"publicationDate":"2025-07-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144549541","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"经济学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
The graduation part II: Graduate program graduation rates 第二部分:研究生项目毕业率
IF 4.8 1区 经济学
Journal of Public Economics Pub Date : 2025-07-04 DOI: 10.1016/j.jpubeco.2025.105422
Jeffrey T. Denning , Lesley J. Turner
{"title":"The graduation part II: Graduate program graduation rates","authors":"Jeffrey T. Denning ,&nbsp;Lesley J. Turner","doi":"10.1016/j.jpubeco.2025.105422","DOIUrl":"10.1016/j.jpubeco.2025.105422","url":null,"abstract":"<div><div>This paper documents several facts about graduate program graduation rates using administrative data covering public and nonprofit graduate students in Texas. Only 58 % of students entering a graduate program in 2004 graduated within 6 years. Between the 2004 and 2013 entering cohorts, graduate student completion rates grew by 10 percentage points. Graduation rates vary widely by field of study, ranging from an average of 81 % for law programs to 53 % for education programs. We also find large differences in graduation rates between institutions. On average, 72 % of students who entered programs in flagship public universities graduated in 6 years compared to only 57 % of those who entered programs in non-research intensive (non-R1) institutions. Graduate students who do not complete may face negative consequences due to lower average earnings and substantial levels of student debt.</div></div>","PeriodicalId":48436,"journal":{"name":"Journal of Public Economics","volume":"248 ","pages":"Article 105422"},"PeriodicalIF":4.8,"publicationDate":"2025-07-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144549530","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"经济学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Sedimentary architecture of the ediacaran mixed carbonate-siliciclastic system, NW arabian plate: Regionally extensive marine incursion or syntectonic fault-controlled basin? 西北阿拉伯板块埃迪卡拉纪碳酸盐-硅屑混合体系的沉积构型:区域性海侵还是同构造断控盆地?
IF 3.2 2区 地球科学
Precambrian Research Pub Date : 2025-07-04 DOI: 10.1016/j.precamres.2025.107872
Muhammad Hammad Malik , Arif Hussain , Ardiansyah Koeshidayatullah , Justin V. Strauss , Adhipa Herlambang , Abdulwahab M. Bello , Khalid Al-Ramadan
{"title":"Sedimentary architecture of the ediacaran mixed carbonate-siliciclastic system, NW arabian plate: Regionally extensive marine incursion or syntectonic fault-controlled basin?","authors":"Muhammad Hammad Malik ,&nbsp;Arif Hussain ,&nbsp;Ardiansyah Koeshidayatullah ,&nbsp;Justin V. Strauss ,&nbsp;Adhipa Herlambang ,&nbsp;Abdulwahab M. Bello ,&nbsp;Khalid Al-Ramadan","doi":"10.1016/j.precamres.2025.107872","DOIUrl":"10.1016/j.precamres.2025.107872","url":null,"abstract":"<div><div>Ediacaran sedimentary successions worldwide are commonly characterized by mixed siliciclastic-carbonate deposits exhibiting contemporaneous deposition. In NW parts of the Arabian plate, a similar style of sedimentation is observed within a series of isolated basins along the NW-trending Najd Fault System. Two contrasting depositional models have been proposed to explain the formation of Km-thick Ediacaran sedimentary sequences in the region, from regionally extensive marine platform to fault-controlled basins with syntectonic deposition. To date, this question remains unanswered and the controlling factors governing the mode of formation, the evolution and the sedimentary architecture for these Ediacaran sequences remain enigmatic. In this study, we explore this mixed siliciclastic and carbonate sedimentation by conducting detailed sedimentology and stratigraphic analysis of the Ediacaran Dhaiqa basin, a transtensional basin formed along the Najd Fault system of western Saudi Arabia. Eight sedimentary facies are identified, ranging from polymict conglomerate to microbial carbonate which most likely represent accumulation in continental (alluvial to lacustrine) to marginal marine settings. In addition to sedimentological evidences for <em>syn</em>-sedimentary tectonic activity, we observed four 3rd-order fining- and deepening-upwards sequences, which may suggest multi-stage, fault-controlled sedimentation related to local tectonic activity in the Dhaiqa basin. Variations in sequence arrangement and thickness further indicate discrete fluctuations in the development of local accommodation space in the basin. These findings highlight how the style of sedimentation in the Ediacaran basins of the Arabian-Nubian Shield may be primarily controlled by local fault-related accommodation, which might differ from many Ediacaran successions that record relative and eustatic base level changes, but is similar to the basins formed in the regions influenced by tectonism. Such information provides a better framework to compare Ediacaran rocks across multiple isolated basins spread across the northwestern regions of the Arabian-Nubian Shield, and may provide base for the future correlations of these sequences with mixed siliciclastic carbonate successions in similar <em>syn</em>-tectonic basins worldwide.</div></div>","PeriodicalId":49674,"journal":{"name":"Precambrian Research","volume":"427 ","pages":"Article 107872"},"PeriodicalIF":3.2,"publicationDate":"2025-07-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144549668","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"地球科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
How residential environments affect depressive mood and stress among young adults in South Korea: The role of restorativeness 居住环境如何影响韩国年轻人的抑郁情绪和压力:恢复性的作用
IF 6 1区 经济学
Cities Pub Date : 2025-07-04 DOI: 10.1016/j.cities.2025.106165
Da-Hye Yim , Youngsang Kwon
{"title":"How residential environments affect depressive mood and stress among young adults in South Korea: The role of restorativeness","authors":"Da-Hye Yim ,&nbsp;Youngsang Kwon","doi":"10.1016/j.cities.2025.106165","DOIUrl":"10.1016/j.cities.2025.106165","url":null,"abstract":"<div><div>Young adults with mental health problem are increasing sharply. Most of them live in cities to work and study, and their everyday environment would have influenced their mental health. However, little is known about these impacts. Green areas are beneficial for mental health, but providing parks in developed cities is challenging. The question arises whether built environment can support mental health.</div><div>This study examined how residential environment, including housing and neighborhood environment, help alleviate depressive mood and stress. The survey involved 301 young adults aged 19–34 in Seoul as most Korean young adults move to study and work. Restorativeness was used as a mediating variable, measured by the Perceived Restorativeness Scale. Partial Least Squares Structural Equation Modeling was used.</div><div>Natural environments, including parks and greenery, significantly increase PRS and reduce stress. Results show that housing quality, diversity of commercial facilities, pleasant streetscapes, management, and social infrastructure enhance restorativeness, which in turn reduce stresses, though not alleviating depressive moods. The use of the Entropy Index to objectively measure commercial diversity strengthened the robustness of the analysis. This suggests that young adults' favorite characteristics for commercial facilities were reflected in restorativeness. Furthermore, spending time in a restorative neighborhood environment alleviates the stress and depressive mood of young adults. In contrast, the transportation environment had little impact, indicating the importance of their perception of the built environment. This study highlights the potential of residential environments to foster restorative settings.</div></div>","PeriodicalId":48405,"journal":{"name":"Cities","volume":"166 ","pages":"Article 106165"},"PeriodicalIF":6.0,"publicationDate":"2025-07-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144549855","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"经济学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Development of drag, lift, and torque models for cylindrical biomass particles in suspension systems 悬浮系统中圆柱形生物质颗粒的阻力、升力和扭矩模型的发展
IF 6.4 2区 工程技术
International Communications in Heat and Mass Transfer Pub Date : 2025-07-04 DOI: 10.1016/j.icheatmasstransfer.2025.109305
Jingliang Wang , Chuang He , Qingyan Fang , Fei Duan , Peng Tan , Cheng Zhang , Gang Chen , Chungen Yin
{"title":"Development of drag, lift, and torque models for cylindrical biomass particles in suspension systems","authors":"Jingliang Wang ,&nbsp;Chuang He ,&nbsp;Qingyan Fang ,&nbsp;Fei Duan ,&nbsp;Peng Tan ,&nbsp;Cheng Zhang ,&nbsp;Gang Chen ,&nbsp;Chungen Yin","doi":"10.1016/j.icheatmasstransfer.2025.109305","DOIUrl":"10.1016/j.icheatmasstransfer.2025.109305","url":null,"abstract":"<div><div>The motion of non-spherical particles is widely encountered in suspension systems on heat and mass transfer for energy, chemical, and environmental engineering. However, the existing force models apply the assumptions of spherical or simplified particle geometries, making them insufficient for accurately describing the hydrodynamic behaviors of typical biomass particles like cylindrical straws in industrial co-firing settings. To address this limitation, this study employs an immersed boundary method particle-resolved direct numerical simulation (IBM-PR-DNS) to investigate the hydrodynamic forces acting on cylindrical particles with an aspect ratio of 2.5. A comprehensive analysis is conducted over a range of Reynolds numbers (10 ≤ <em>Re</em> ≤ 2000), solid volume fractions (0.05 ≤ <em>φ</em> ≤ 0.2), and particle incidence angles (0° ≤ <em>θ</em> ≤ 90°). The results reveal that increasing Reynolds number and solid volume fraction greately enhance the complexity and heterogeneity of local flow structures, resulting in pronounced non-uniformity in particle scale forces. The drag shows a strong dependence on the incident angle, particularly at high Reynolds numbers, with a reduction of up to 46.33 % as <em>θ</em> increases from 5° to 85°. The lift and torque exhibit peak values near <em>θ</em> = 45°, and their magnitude increases with <em>Re</em> and <em>φ</em> due to intensified wake asymmetry and flow disturbances. Based on extensive data, the correlations for the drag, lift, and torque are developed using a genetic algorithm optimization framework. These models explicitly incorporate the effects of Reynolds number, solid volume fraction, and incident angle, and well indicate agreement with the IBM-PR-DNS results, with root mean square errors below 0.5. Compared to the existing correlations for ellipsoids; disks; and cubes, the proposed models demonstrate better accuracy and robustness for randomly oriented cylindrical biomass particles in the dense suspensions. This work might provide reliable generalized force models for cylindrical particles in multiphase flows, and offer a high-fidelity reference for numerical simulations of biomass co-firing, fluidized bed combustion, and related gas-solid flow systems.</div></div>","PeriodicalId":332,"journal":{"name":"International Communications in Heat and Mass Transfer","volume":"167 ","pages":"Article 109305"},"PeriodicalIF":6.4,"publicationDate":"2025-07-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144549883","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Transition metal atom catalysts suppress the shuttle effect: a first-principles study 过渡金属原子催化剂抑制穿梭效应:第一性原理研究
IF 3.1 3区 材料科学
Computational Materials Science Pub Date : 2025-07-04 DOI: 10.1016/j.commatsci.2025.114089
Zihan Zhao, Li Duan, Yan Zhang, Jibin Fan, Lei Ni, Xing Wei
{"title":"Transition metal atom catalysts suppress the shuttle effect: a first-principles study","authors":"Zihan Zhao,&nbsp;Li Duan,&nbsp;Yan Zhang,&nbsp;Jibin Fan,&nbsp;Lei Ni,&nbsp;Xing Wei","doi":"10.1016/j.commatsci.2025.114089","DOIUrl":"10.1016/j.commatsci.2025.114089","url":null,"abstract":"<div><div>The theoretical energy density of lithium-sulfur batteries (LSBs) reaches as high as 2600 mA·h·g<sup>−1</sup>. However, challenges such as poor sulfur conductivity, the polysulfide shuttle effect, and sluggish Li<sub>2</sub>S(the product of sulfur reduction reaction) oxidation kinetics have significantly hindered their practical development. Building on first-principles calculations, this study provides an in-depth analysis of the anchoring and catalytic performance of single-atom catalysts embedded in two-dimensional GeC monolayers (TM-GeC), investigating their potential as sulfur composite materials for LSBs. Through calculations of their structural stability, adsorption capacity, conductivity, charge transfer and Li<sub>2</sub>S oxidation kinetics, it was determined that Fe-GeC and Co-GeC exhibit outstanding properties as potential sulfur host materials, anchoring lithium polysulfides (LiPSs) effectively. The material also maintains exceptional electrical conductivity, both prior to and following the adsorption of LiPSs. This property allows the entire system to exhibit metallic behavior and substantially lowers the free energy associated with the sulfur reduction reaction. In addition, the adsorption and catalytic mechanisms of Fe-GeC and Co-GeC have been elucidated, providing novel perspectives for the design of sulfur composite materials that possess superior anchoring capacity and catalytic performance.</div></div>","PeriodicalId":10650,"journal":{"name":"Computational Materials Science","volume":"258 ","pages":"Article 114089"},"PeriodicalIF":3.1,"publicationDate":"2025-07-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144548676","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
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