Pub Date : 2025-04-20DOI: 10.1016/j.matlet.2025.138612
Jie Yang , Xiaoyun Zhou , Zhenyu Zhu
Body fluid environment significantly enhances bone fatigue performance. In terms of fatigue mechanics, findings reveal that, stress amplitude has a relatively minor effect on fatigue lifespan across high mean stresses. However, for a comparable fatigue lifespan, the equivalent stress amplitude of bone fatigue in body fluid is 30–40 MPa higher than that in non-fluid environment. A bone fatigue model incorporating the influence of mean stress is proposed, with characteristic parameters that directly reflect the intrinsic properties of the bone material. Bone fatigue performance is associated with fatigue initiation and crack propagation regions, where smoother fatigue initiation zones and gradually evolving crack propagation areas contribute to improved fatigue performance. This research helps to elucidate the mechanisms of bone fatigue damage and fracture resistance both inside and outside body fluid environments.
{"title":"Effect of body fluid on bovine cortical bone fatigue","authors":"Jie Yang , Xiaoyun Zhou , Zhenyu Zhu","doi":"10.1016/j.matlet.2025.138612","DOIUrl":"10.1016/j.matlet.2025.138612","url":null,"abstract":"<div><div>Body fluid environment significantly enhances bone fatigue performance. In terms of fatigue mechanics, findings reveal that, stress amplitude has a relatively minor effect on fatigue lifespan across high mean stresses. However, for a comparable fatigue lifespan, the equivalent stress amplitude of bone fatigue in body fluid is 30–40 MPa higher than that in non-fluid environment. A bone fatigue model incorporating the influence of mean stress is proposed, with characteristic parameters that directly reflect the intrinsic properties of the bone material. Bone fatigue performance is associated with fatigue initiation and crack propagation regions, where smoother fatigue initiation zones and gradually evolving crack propagation areas contribute to improved fatigue performance. This research helps to elucidate the mechanisms of bone fatigue damage and fracture resistance both inside and outside body fluid environments.</div></div>","PeriodicalId":384,"journal":{"name":"Materials Letters","volume":"393 ","pages":"Article 138612"},"PeriodicalIF":2.7,"publicationDate":"2025-04-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143860183","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
In this study, polycrystalline samples of the compounds PbSnS2 and PbSnS1.94Cl0.06 were investigated. These samples were obtained by liquid-phase synthesis, followed by mechanical grinding and consolidation by spark plasma sintering. It was found that the substitution of sulfur positions with chlorine resulted in a significant increase in the mobility of charge carriers, from 9.54 to 931.12 cm2⋅V−1⋅s−1, at 415 K. Furthermore, the power factor at 750 K was determined to be 0.25 mW⋅m−1⋅K−2 for the PbSnS1.94Cl0.06 sample. A comparative analysis of the electro-transport properties of single- and polycrystalline samples was conducted, thereby revealing the predominant role of the scattering of charge carriers at grain boundaries and defects in the latter.
{"title":"Electron transport of chlorine-doped PbSnS2 n-type polycrystals","authors":"E.V. Argunov , E.V. Chernyshova , F.Yu. Bochkanov , M.A. Seredina , K.A. Shcherbakova , Yu.M. Kuznetsov , A.V. Zdoroveishchev , M.V. Dorokhin , D.Yu. Karpenkov","doi":"10.1016/j.matlet.2025.138609","DOIUrl":"10.1016/j.matlet.2025.138609","url":null,"abstract":"<div><div>In this study, polycrystalline samples of the compounds PbSnS<sub>2</sub> and PbSnS<sub>1.94</sub>Cl<sub>0.06</sub> were investigated. These samples were obtained by liquid-phase synthesis, followed by mechanical grinding and consolidation by spark plasma sintering. It was found that the substitution of sulfur positions with chlorine resulted in a significant increase in the mobility of charge carriers, from 9.54 to 931.12 cm<sup>2</sup>⋅V<sup>−1</sup>⋅s<sup>−1</sup>, at 415 K. Furthermore, the power factor at 750 K was determined to be 0.25 mW⋅m<sup>−1</sup>⋅K<sup>−2</sup> for the PbSnS<sub>1.94</sub>Cl<sub>0.06</sub> sample. A comparative analysis of the electro-transport properties of single- and polycrystalline samples was conducted, thereby revealing the predominant role of the scattering of charge carriers at grain boundaries and defects in the latter.</div></div>","PeriodicalId":384,"journal":{"name":"Materials Letters","volume":"393 ","pages":"Article 138609"},"PeriodicalIF":2.7,"publicationDate":"2025-04-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143855564","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-04-19DOI: 10.1016/j.matlet.2025.138581
M.Meenakshi Sundari , A. Jegatheesan , R. Mohan , M.Sam Arul Raj , N.Ambika Devi , P. Ravikumar , M. Ayyanar , K. Ravichandran
Chitosan (CS) is a natural polysaccharide with significant potential for biological applications. This study aims to extract chitosan from crab shell (Portunus trituberculatus) waste through a series of processes including demineralization, deproteinization, and deacetylation. The crystallinity index and deacetylation degree (DD) were determined, and the chitosan was characterized using several analytical techniques, viz. XRD, FTIR, Raman spectroscopy and SEM with EDS. The crab shell derived chitosan exhibits significant antioxidant, antidiabetic and anti-inflammatory properties. The CS showed 90.35 % inhibition in ABTS free radical scavenging assays and showed 88.40 % of inhibition against the alpha glucosidase enzyme. It also showed an anti-inflammation potential with the IC50 value of 132.72 ± 1.36 µg/mL. Furthermore, the cytotoxicity test of the CS against MCF – 7 cell line exhibited an IC50 value of 22.86 ± 0.05 µg/mL.
{"title":"Exploring the bioactive potential of chitosan extracted from Portunus trituberculatus crab shell for multifaceted applications: Antioxidant, antidiabetic, anti-inflammatory and cytotoxic activities","authors":"M.Meenakshi Sundari , A. Jegatheesan , R. Mohan , M.Sam Arul Raj , N.Ambika Devi , P. Ravikumar , M. Ayyanar , K. Ravichandran","doi":"10.1016/j.matlet.2025.138581","DOIUrl":"10.1016/j.matlet.2025.138581","url":null,"abstract":"<div><div>Chitosan (CS) is a natural polysaccharide with significant potential for biological applications. This study aims to extract chitosan from crab shell <em>(Portunus trituberculatus)</em> waste through a series of processes including demineralization, deproteinization, and deacetylation. The crystallinity index and deacetylation degree (DD) were determined, and the chitosan was characterized using several analytical techniques, <em>viz.</em> XRD, FTIR, Raman spectroscopy and SEM with EDS. The crab shell derived chitosan exhibits significant antioxidant, antidiabetic and anti-inflammatory properties. The CS showed 90.35 % inhibition in ABTS free radical scavenging assays and showed 88.40 % of inhibition against the alpha glucosidase enzyme. It also showed an anti-inflammation potential with the IC<sub>50</sub> value of 132.72 ± 1.36 µg/mL. Furthermore, the cytotoxicity test of the CS against MCF – 7 cell line exhibited an IC<sub>50</sub> value of 22.86 ± 0.05 µg/mL.</div></div>","PeriodicalId":384,"journal":{"name":"Materials Letters","volume":"393 ","pages":"Article 138581"},"PeriodicalIF":2.7,"publicationDate":"2025-04-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143855565","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-04-18DOI: 10.1016/j.matlet.2025.138603
Shenglong Liu , Yuanlong Li , Yiyu Liu , Zhengqiao Li , Lei Qin , Hua Wu , Ying Xing
Two-dimensional (2D) superconductor-ferromagnet van der Waals heterostructures have recently arisen wide research interests in low dimensional devices on spintronics and quantum computation. However, the synthesis of atomically thin heterostructures is quite challenging. In this paper, we have successfully synthesized superconducting NbSe2 flakes and ferromagnetic VSe2 flakes, and then stacked NbSe2-VSe2 heterostructures by a two-step chemical vapor deposition (CVD) method. On step one, large and smooth NbSe2 flakes were obtained on sapphire substrate. On the second step, we achieve heteroepitaxy growth of VSe2 on the NbSe2 surface. This work broadens the field of TMDs based van der Waals heterostructures and provides a potential platform for exploring topological superconductivity.
{"title":"Growth of 2D van der Waals superconductor-ferromagnet NbSe2-VSe2 heterostructure by CVD method","authors":"Shenglong Liu , Yuanlong Li , Yiyu Liu , Zhengqiao Li , Lei Qin , Hua Wu , Ying Xing","doi":"10.1016/j.matlet.2025.138603","DOIUrl":"10.1016/j.matlet.2025.138603","url":null,"abstract":"<div><div>Two-dimensional (2D) superconductor-ferromagnet van der Waals heterostructures have recently arisen wide research interests in low dimensional devices on spintronics and quantum computation. However, the synthesis of atomically thin heterostructures is quite challenging. In this paper, we have successfully synthesized superconducting NbSe<sub>2</sub> flakes and ferromagnetic VSe<sub>2</sub> flakes, and then stacked NbSe<sub>2</sub>-VSe<sub>2</sub> heterostructures by a two-step chemical vapor deposition (CVD) method. On step one, large and smooth NbSe<sub>2</sub> flakes were obtained on sapphire substrate. On the second step, we achieve heteroepitaxy growth of VSe<sub>2</sub> on the NbSe<sub>2</sub> surface. This work broadens the field of TMDs based van der Waals heterostructures and provides a potential platform for exploring topological superconductivity.</div></div>","PeriodicalId":384,"journal":{"name":"Materials Letters","volume":"393 ","pages":"Article 138603"},"PeriodicalIF":2.7,"publicationDate":"2025-04-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143852182","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
To investigate the effects of ultrasonic vibration (UV) on mechanical properties and microstructure evolution of Ti-6Al-4V alloy manufactured by laser direct energy deposition, a series of experiments have been carried out by the INSTRON testing machine, scanning electron microscopy (SEM) and transmission electron microscopy (TEM). The results demonstrate that UV significantly enhances the plasticity of Ti-6Al-4V alloy, with an increase in elongation by 87.4 % and tensile strength by 4.04 %. And the phenomenon of HCP-FCC phase transformation of Ti-6Al-4V alloy has been found during additive manufacturing under the UV. The formation of FCC nano-twinned phase contributes to the enhancement of the mechanical properties of Ti-6Al-4V alloy to some extent.
{"title":"Effects of ultrasonic vibration on mechanical properties and microstructure evolution of Ti-6Al-4V alloy manufactured by laser direct energy deposition","authors":"Chunhuan Guo , Hanyu Yin , Wei Chen , Fengchun Jiang","doi":"10.1016/j.matlet.2025.138600","DOIUrl":"10.1016/j.matlet.2025.138600","url":null,"abstract":"<div><div>To investigate the effects of ultrasonic vibration (UV) on mechanical properties and microstructure evolution of Ti-6Al-4V alloy manufactured by laser direct energy deposition, a series of experiments have been carried out by the INSTRON testing machine, scanning electron microscopy (SEM) and transmission electron microscopy (TEM). The results demonstrate that UV significantly enhances the plasticity of Ti-6Al-4V alloy, with an increase in elongation by 87.4 % and tensile strength by 4.04 %. And the phenomenon of HCP-FCC phase transformation of Ti-6Al-4V alloy has been found during additive manufacturing under the UV. The formation of FCC nano-twinned phase contributes to the enhancement of the mechanical properties of Ti-6Al-4V alloy to some extent.</div></div>","PeriodicalId":384,"journal":{"name":"Materials Letters","volume":"393 ","pages":"Article 138600"},"PeriodicalIF":2.7,"publicationDate":"2025-04-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143850842","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-04-18DOI: 10.1016/j.matlet.2025.138604
Changhyun (Lyon) Nam , Kwangeun Kim
GaAs/Si tunnel diodes (TDs) were achieved on recycled polypropylene (PP) substrates through crystalline nanomembrane (NM) stacking. Crystalline NM-based GaAs/Si TDs were constructed on the UV/O3-treated PP substrate by the combination of NM and TD stacking. Conduction regions of band-to-band tunneling, negative differential resistance, and thermionic emission were revealed by electrical characterization of the GaAs/Si/PP TDs. The peak-to-valley current ratios of GaAs/Si/PP TDs (2.15, 1.92, and 2.03) were determined to be comparable to those of conventional epitaxial and direct-bonded TDs. These findings demonstrated the sustainable capability of recycled PP substrates in the development of crystalline NM-based tunneling devices.
{"title":"Stacked crystalline nanomembrane GaAs/Si tunnel diodes on polypropylene substrates derived from disposable masks","authors":"Changhyun (Lyon) Nam , Kwangeun Kim","doi":"10.1016/j.matlet.2025.138604","DOIUrl":"10.1016/j.matlet.2025.138604","url":null,"abstract":"<div><div>GaAs/Si tunnel diodes (TDs) were achieved on recycled polypropylene (PP) substrates through crystalline nanomembrane (NM) stacking. Crystalline NM-based GaAs/Si TDs were constructed on the UV/O<sub>3</sub>-treated PP substrate by the combination of NM and TD stacking. Conduction regions of band-to-band tunneling, negative differential resistance, and thermionic emission were revealed by electrical characterization of the GaAs/Si/PP TDs. The peak-to-valley current ratios of GaAs/Si/PP TDs (2.15, 1.92, and 2.03) were determined to be comparable to those of conventional epitaxial and direct-bonded TDs. These findings demonstrated the sustainable capability of recycled PP substrates in the development of crystalline NM-based tunneling devices.</div></div>","PeriodicalId":384,"journal":{"name":"Materials Letters","volume":"393 ","pages":"Article 138604"},"PeriodicalIF":2.7,"publicationDate":"2025-04-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143850843","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Additive manufacturing (AM) has become a crucial technique for fabricating high-performance superalloys. K447A, a promising candidate for high-temperature applications, exhibits significant cracking issues during AM processing. In this study, a mixture of K447A and IN718 powders was processed via selective laser melting (SLM) to enhance mechanical properties and minimize cracking. The optimal composition was identified as KI28 (20% K447A, 80% IN718). Microstructural analysis revealed that KI28 exhibited the smallest laser melt pool area and a short-chain Laves phase morphology, reducing crack formation. Additionally, mechanical testing demonstrated that the increased IN718 content improved tensile strength and ductility. These findings provide valuable insights for optimizing Ni-based superalloys through AM processing.
{"title":"Microstructures and properties of selective laser melted K447A/IN718 Ni-based superalloy composites","authors":"Yu Zhang , Zhen Ding , Bing Tian , Fengchun Jiang , Mehrdad Zarinejad , Yunxiang Tong","doi":"10.1016/j.matlet.2025.138598","DOIUrl":"10.1016/j.matlet.2025.138598","url":null,"abstract":"<div><div>Additive manufacturing (AM) has become a crucial technique for fabricating high-performance superalloys. K447A, a promising candidate for high-temperature applications, exhibits significant cracking issues during AM processing. In this study, a mixture of K447A and IN718 powders was processed via selective laser melting (SLM) to enhance mechanical properties and minimize cracking. The optimal composition was identified as KI28 (20% K447A, 80% IN718). Microstructural analysis revealed that KI28 exhibited the smallest laser melt pool area and a short-chain Laves phase morphology, reducing crack formation. Additionally, mechanical testing demonstrated that the increased IN718 content improved tensile strength and ductility. These findings provide valuable insights for optimizing Ni-based superalloys through AM processing.</div></div>","PeriodicalId":384,"journal":{"name":"Materials Letters","volume":"393 ","pages":"Article 138598"},"PeriodicalIF":2.7,"publicationDate":"2025-04-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143860184","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
In this work, a high-performance Joule heater is proposed, which is composed of LIG as the heating layer and medical band-aids as the substrate. Thanks to the sodium lignosulfonate as carbon source, laser-induced graphene (LIG), is successfully prepared on the medical band-aids. The Joule heater exhibits remarkable electrothermal performance, capable of reaching a high temperature of 96.6 °C at a low operating voltage of 8 V. The band-aid-assisted LIG-based Joule heater is demonstrated for thermotherapy applications, showing good heating temperature controllability. This work can provide a solution for the development of comfortable LIG-based flexible electronics based on medical band-aids.
{"title":"Band-aid-assisted Joule heater based on laser-induced graphene for thermotherapy applications","authors":"Yexiong Huang, Zikai Bao, Tingyu Liu, Chunxin Hao, Xinyuan Wang, Jinmin Li","doi":"10.1016/j.matlet.2025.138602","DOIUrl":"10.1016/j.matlet.2025.138602","url":null,"abstract":"<div><div>In this work, a high-performance Joule heater is proposed, which is composed of LIG as the heating layer and medical band-aids as the substrate. Thanks to the sodium lignosulfonate as carbon source, laser-induced graphene (LIG), is successfully prepared on the medical band-aids. The Joule heater exhibits remarkable electrothermal performance, capable of reaching a high temperature of 96.6 °C at a low operating voltage of 8 V. The band-aid-assisted LIG-based Joule heater is demonstrated for thermotherapy applications, showing good heating temperature controllability. This work can provide a solution for the development of comfortable LIG-based flexible electronics based on medical band-aids.</div></div>","PeriodicalId":384,"journal":{"name":"Materials Letters","volume":"393 ","pages":"Article 138602"},"PeriodicalIF":2.7,"publicationDate":"2025-04-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143847849","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-04-18DOI: 10.1016/j.matlet.2025.138599
Lin Fu , Hongjie Jiang , Kai Huang , Hao Cheng , Chongyu Liu , Hongfeng Huang , Shuhui Liu
FSP-ZA27/7075Al composites with enhanced high-temperature damping capacity were fabricated using friction stir processing. The interface bonding between the ZA27 and 7075Al alloys is strong, with no apparent defects or new phase formation in the composites. The improved damping capacity and comprehensive damping index of the composites, in comparison to the 7075Al alloy, result from the contributions of grain refinement and the inherent damping capacity of the reinforcement phase. At 300 °C, the internal friction value of the composites is 798 % and 1258 % greater than that of FSP-7075Al and 7075-T651 Al alloys, respectively. At 275 °C, the composites show internal friction peaks similar to those of the ZA27 alloy.
{"title":"Microstructure and damping capacity of high-temperature damping ZA27/7075Al composites prepared by friction stir processing","authors":"Lin Fu , Hongjie Jiang , Kai Huang , Hao Cheng , Chongyu Liu , Hongfeng Huang , Shuhui Liu","doi":"10.1016/j.matlet.2025.138599","DOIUrl":"10.1016/j.matlet.2025.138599","url":null,"abstract":"<div><div>FSP-ZA27/7075Al composites with enhanced high-temperature damping capacity were fabricated using friction stir processing. The interface bonding between the ZA27 and 7075Al alloys is strong, with no apparent defects or new phase formation in the composites. The improved damping capacity and comprehensive damping index of the composites, in comparison to the 7075Al alloy, result from the contributions of grain refinement and the inherent damping capacity of the reinforcement phase. At 300 °C, the internal friction value of the composites is 798 % and 1258 % greater than that of FSP-7075Al and 7075-T651 Al alloys, respectively. At 275 °C, the composites show internal friction peaks similar to those of the ZA27 alloy.</div></div>","PeriodicalId":384,"journal":{"name":"Materials Letters","volume":"393 ","pages":"Article 138599"},"PeriodicalIF":2.7,"publicationDate":"2025-04-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143847850","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-04-18DOI: 10.1016/j.matlet.2025.138605
V. Shivani , S. Sriram
This study identifies Moiré Bilayer MoS2 (mBL-MoS2) as a viable anode for sodium-ion batteries (SIBs). The structure demonstrates a favorable formation energy of –49.54 meV, with thermodynamic stability during Na-ion incorporation. With a low intercalation energy of –2.38 eV mBL-MoS2 exhibits an ultra-low diffusion barrier energy of 0.0214 eV, which facilitates rapid ion transport with an optimal open-circuit voltage (OCV) of 2.38 V. Sodium ions preferentially adsorb at sulfur sites, with a high theoretical specific capacity of 167.5 mAh/g for single Na+ insertion. Additionally, the enhanced electronic conductivity further substantiates the potential of mBL-MoS2 as a high-performance anode material.
{"title":"Moiré bilayer MoS2 as a next-generation sodium-ion battery anode: A DFT analysis","authors":"V. Shivani , S. Sriram","doi":"10.1016/j.matlet.2025.138605","DOIUrl":"10.1016/j.matlet.2025.138605","url":null,"abstract":"<div><div>This study identifies Moiré Bilayer MoS<sub>2</sub> (mBL-MoS<sub>2</sub>) as a viable anode for sodium-ion batteries (SIBs). The structure demonstrates a favorable formation energy of –49.54 meV, with thermodynamic stability during Na-ion incorporation. With a low intercalation energy of –2.38 eV mBL-MoS<sub>2</sub> exhibits an ultra-low diffusion barrier energy of 0.0214 eV, which facilitates rapid ion transport with an optimal open-circuit voltage (OCV) of 2.38 V. Sodium ions preferentially adsorb at sulfur sites, with a high theoretical specific capacity of 167.5 mAh/g for single Na<sup>+</sup> insertion. Additionally, the enhanced electronic conductivity further substantiates the potential of mBL-MoS<sub>2</sub> as a high-performance anode material.</div></div>","PeriodicalId":384,"journal":{"name":"Materials Letters","volume":"393 ","pages":"Article 138605"},"PeriodicalIF":2.7,"publicationDate":"2025-04-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143847851","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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