Journal of Physics and Chemistry of Solids最新文献

NiPS3 monolayer as an efficient sulfur host for Na–S batteries with polysulfide immobilization and catalytic enhancement 聚硫固定化和催化增强nipps3单层Na-S电池的高效硫载体

IF 4.3 3区材料科学

Journal of Physics and Chemistry of Solids Pub Date : 2025-06-30 DOI: 10.1016/j.jpcs.2025.112985

Wei Zhao , Cong Kang , Hongtao Xue , Jihong Li , Junhao Li , Chengdan He , Jin Wang , Yan Zhang , Lei Wan , Fuling Tang

{"title":"NiPS3 monolayer as an efficient sulfur host for Na–S batteries with polysulfide immobilization and catalytic enhancement","authors":"Wei Zhao , Cong Kang , Hongtao Xue , Jihong Li , Junhao Li , Chengdan He , Jin Wang , Yan Zhang , Lei Wan , Fuling Tang","doi":"10.1016/j.jpcs.2025.112985","DOIUrl":"10.1016/j.jpcs.2025.112985","url":null,"abstract":"<div><div>Sodium-sulfur (Na–S) batteries hold great promise as next-generation energy storage systems due to their high theoretical capacity and abundant electrode materials. However, their commercialization is significantly hindered by issues such as the polysulfide (Na2Sn) shuttle effect, the poor electrical conductivity of sulfur, and sluggish reaction kinetics. In this study, we propose monolayer NiPS3 as an effective sulfur host material to address these challenges. Our computational results indicate that Ni atoms play a crucial role in facilitating electron transport, while the moderate binding strength between NiPS3 and Na2Sn helps suppress the polysulfide shuttle effect. Additionally, NiPS3 exhibits favorable catalytic activity in both the sulfur reduction reaction (SRR) and Na2S decomposition. Specifically, NiPS3 reduces the energy barriers associated with intermediate conversions in the SRR and lowers the dissociation barrier of Na2S, thereby promoting more efficient redox kinetics and improving sulfur utilization in Na–S batteries. Furthermore, we find that NiPS3 also demonstrates good Na-storage capability, contributing to an increased theoretical capacity. Our study provides insights into improving the electrochemical performance of Na–S batteries and highlights the potential of NiPS3 as a multifunctional anchoring and catalytic material.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"207 ","pages":"Article 112985"},"PeriodicalIF":4.3,"publicationDate":"2025-06-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144522217","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

High-performance MnV12O31 cathode for aqueous zinc-ion battery 高性能锌离子电池负极MnV12O31

IF 4.3 3区材料科学

Journal of Physics and Chemistry of Solids Pub Date : 2025-06-30 DOI: 10.1016/j.jpcs.2025.112987

Yuanlong E , Mingke Zhang , Yanqiu Yang , Mingyue Jin , Siqi Li , Hongsheng Jia , Yugang Su

{"title":"High-performance MnV12O31 cathode for aqueous zinc-ion battery","authors":"Yuanlong E , Mingke Zhang , Yanqiu Yang , Mingyue Jin , Siqi Li , Hongsheng Jia , Yugang Su","doi":"10.1016/j.jpcs.2025.112987","DOIUrl":"10.1016/j.jpcs.2025.112987","url":null,"abstract":"<div><div>With the increasing shortage of global resources, efficient and environmentally friendly electrochemical energy storage technology is becoming a research hotspot. Although the traditional lithium-ion battery has the advantage of high energy density, it faces the challenges of lithium resource depletion and organic electrolyte safety hazards. In this context, aqueous zinc-ion batteries are considered as a promising next-generation energy storage device due to their safety and cost advantages. Among many cathode materials, vanadium-based compounds have outstanding performance, among which MnV12O31 has attracted wide attention due to its unique structural characteristics. The structural water in hydrated metal ions can shield the positive charge of the metal ions and increase the ionic radius, thereby reducing the effective charge of the hydrated metal ions and weakening the electrostatic repulsion between the hydrated metal ions and the cathode material. The experimental data shows an excellent energy storage performance that the MnV12O31 nano-composite material can achieve a high specific capacity of 610 mAh g−1 at the current density of 0.1 A g−1. It is worth noting that even after 1000 cycles at a high current density of 10 A g−1, it can still maintain 75 % of the initial capacity so that reflecting excellent cycle stability. These excellent electrochemical properties indicate that MnV12O31 nanocomposites have broad application prospects in the field of high-performance zinc ion battery cathode materials, and are expected to promote the development of a new generation of high energy density energy storage systems.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"207 ","pages":"Article 112987"},"PeriodicalIF":4.3,"publicationDate":"2025-06-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144522218","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

Construction of Bi2O2CO3/Bi2O2SiO3 Z-scheme heterojunction and interfacial electron transfer mechanism for photocatalytic degradation of ciprofloxacin Bi2O2CO3/Bi2O2SiO3 Z-scheme异质结的构建及光催化降解环丙沙星的界面电子转移机理

IF 4.3 3区材料科学

Journal of Physics and Chemistry of Solids Pub Date : 2025-06-26 DOI: 10.1016/j.jpcs.2025.112976

Yu Zhang, Yangang Sun, LiYang Zhao, Luyao Pan, Zhaoxia Wen, Min Shi, Hao Li

{"title":"Construction of Bi2O2CO3/Bi2O2SiO3 Z-scheme heterojunction and interfacial electron transfer mechanism for photocatalytic degradation of ciprofloxacin","authors":"Yu Zhang, Yangang Sun, LiYang Zhao, Luyao Pan, Zhaoxia Wen, Min Shi, Hao Li","doi":"10.1016/j.jpcs.2025.112976","DOIUrl":"10.1016/j.jpcs.2025.112976","url":null,"abstract":"<div><div>To address the recalcitrant nature of ciprofloxacin (CIP) in aquatic systems, flower-like Bi2O2CO3/Bi2O2SiO3 (BOC/BOS) Z-scheme heterojunction photocatalysts were synthesized by hydrothermal method, and the relationship between structure and properties was systematically studied. The successful construction and morphological characteristics of the heterojunction were confirmed by XRD and SEM characterization. Optical performance tests show that the energy band regulation at the BOC/BOS heterojunction interface significantly broadens the light absorption range of the material and optimizes the visible light response capability. Under visible light irradiation for 180 min, the removal rate of CIP by the optimized BOC/BOS reached 90.02 %. Active species capture experiments and energy band analysis revealed that the Z-scheme heterojunction not only effectively inhibited the recombination of photogenerated carriers through the interface electron-hole recombination path, but also confirmed that superoxide radicals (•O2−) were the main active substances in the degradation process. This study provides a new strategy for the design of photocatalyst based on bismuth-based heterojunction, and reveals its application potential in the treatment of refractory antibiotic wastewater.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"207 ","pages":"Article 112976"},"PeriodicalIF":4.3,"publicationDate":"2025-06-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144501889","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

Surface stabilized porous cobalt polyphthalocyanine with enhanced reversibility for durable lithium storage 表面稳定多孔钴聚酞菁具有增强的可逆性持久锂存储

IF 4.3 3区材料科学

Journal of Physics and Chemistry of Solids Pub Date : 2025-06-26 DOI: 10.1016/j.jpcs.2025.112980

Zaoyan Yu, Wenruo Li, Luzheng Zhao, Jiancong Guo, Haoyuan Zhu, Yushuai Song, Xu Han, Zhongsheng Wen

{"title":"Surface stabilized porous cobalt polyphthalocyanine with enhanced reversibility for durable lithium storage","authors":"Zaoyan Yu, Wenruo Li, Luzheng Zhao, Jiancong Guo, Haoyuan Zhu, Yushuai Song, Xu Han, Zhongsheng Wen","doi":"10.1016/j.jpcs.2025.112980","DOIUrl":"10.1016/j.jpcs.2025.112980","url":null,"abstract":"<div><div>Cobalt polyphthalocyanines (CoPPcs) are a potential organic anode material for lithium-ion batteries (LIBs) for their tunable microstructure and environmental friendliness. However, its naturally highly compact stacking structure hinders the kinetics of lithium-ion diffusion, and its unstable chemical property deteriorates the surface and structural stabilization. A strategy of incorporating the coordination reaction and the exfoliation process is proposed to configure lamellar porous CoPPcs with stabilized surface/structure. An organophosphate compound of trioctylphosphine oxide (TOPO) is strategically introduced in the preparation of CoPPc to achieve the target. The study demonstrates that the optimized porous CoPPc with less stacking structure exhibits enhanced reversible capacity retention of 854.9 mAh g−1 after 500 cycles at 200 mA g−1, showing excellent electrochemical stability prior to the previously reported results. In addition, the designed CoPPc maintains an amazing high capacity of 963.6 mAh g−1 after 1000 cycles even at a relatively high current density of 1 A g−1, presenting a high endurability for rapid charging-discharging process. This work provides a new avenue to rationally modify and stabilize the structure for high-performance organic anodes for LIBs.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"207 ","pages":"Article 112980"},"PeriodicalIF":4.3,"publicationDate":"2025-06-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144501888","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

Hydrothermal preparation of nanoblock-like C doped WO3 for enhanced photocatalytic degradation and electricity generation 水热法制备纳米块状C掺杂WO3增强光催化降解和发电

IF 4.3 3区材料科学

Journal of Physics and Chemistry of Solids Pub Date : 2025-06-26 DOI: 10.1016/j.jpcs.2025.112978

Yi Zhou , Ru Zhang , Li Li , Jiawei Ma , Jingyi Ye , Longjun Xu , Qi Feng

{"title":"Hydrothermal preparation of nanoblock-like C doped WO3 for enhanced photocatalytic degradation and electricity generation","authors":"Yi Zhou , Ru Zhang , Li Li , Jiawei Ma , Jingyi Ye , Longjun Xu , Qi Feng","doi":"10.1016/j.jpcs.2025.112978","DOIUrl":"10.1016/j.jpcs.2025.112978","url":null,"abstract":"<div><div>Anode materials are crucial for the performance of photocatalytic fuel cells. In this paper, C/WO3 (CW) composite photoanodes with different mass fractions were prepared by modifying WO3 with non-metallic carbon (C) using a hydrothermal method and characterized by using analytical methods such as XRD, SEM, XPS, PL, UV–Vis DRS and EIS. The micro-morphological and structural characterization showed that the composites were successfully prepared. The incorporation of C expanded the light absorption range of the samples towards the visible light, and the lower energy required for the electron leaps guided the ordered movement of electrons and ions more efficiently. Analysing the PFC mechanism, it was found that C has a good electron storage capacity making it act as an electron acceptor to capture the off-domain electrons and provides more reactive radicals to enhance the light trapping ability of the complex. The degradation test results showed that 10 % wt (10-CW) was the optimal complex ratio, and the degradation rate of RhB reached 87.8 %. The study demonstrated that utilizing the C/WO3 photoanode for shale gas flowback wastewater remediation achieved optimal performance within a 4-h treatment period. Experimental results showed the 10-CW anode PFC attained 70 % chemical oxygen demand (COD) reduction while exhibiting notable electrical characteristics: 245.5 mV open-circuit potential (Voc), 400 mA/m2 short-circuit current density (Jsc), and 9.0 mW/m2 maximum output power density (Pmax). These findings indicate that the fabricated C/WO3 composite possesses significant potential as an efficient photoactive material for industrial wastewater purification applications.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"207 ","pages":"Article 112978"},"PeriodicalIF":4.3,"publicationDate":"2025-06-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144511059","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

Suppression of channel migration in 2D multilayer ReS2 via hBN passivation 通过hBN钝化抑制二维多层ReS2中的通道迁移

IF 4.3 3区材料科学

Journal of Physics and Chemistry of Solids Pub Date : 2025-06-26 DOI: 10.1016/j.jpcs.2025.112983

Hyeong Jin Choi, Gyu-Tae Kim

{"title":"Suppression of channel migration in 2D multilayer ReS2 via hBN passivation","authors":"Hyeong Jin Choi, Gyu-Tae Kim","doi":"10.1016/j.jpcs.2025.112983","DOIUrl":"10.1016/j.jpcs.2025.112983","url":null,"abstract":"<div><div>Multilayer rhenium disulfide (ReS2) has garnered attention due to the decoupled van der Waals interactions between its adjacent layers, resulting in significantly higher interlayer resistivity compared to other layered materials. However, for field-effect transistors (FETs) using two-dimensional (2D) materials, air exposure can degrade the sensitivity. Additionally, due to the decoupling layer, conduction layer migration under drain voltage (VDS) changes affects electrical properties. This paper investigates the electrical characteristics of multilayer ReS2 FETs after surface hexagonal boron nitride (hBN) passivation. Electrical characteristics for channel lengths of 0.30 μm, 1.3 μm, and 3.5 μm were compared to analyze the effects of surface hBN passivation. Passivation was implemented using a standard transfer technique. After hBN passivation, threshold voltage (Vth) increased and subthreshold swing improved. Additionally, it was observed that when the channel length is short, the variation in electrical properties in response to changes in VDS decreases. In the low-frequency noise analysis, a 1/f2 spectrum was observed at 0.30 μm and 1.3 μm before hBN passivation, but this spectrum disappeared after passivation. This indicates that the migration of the conduction layer, which occurs due to VDS in short channels, is suppressed after hBN passivation. This study holds significance in understanding the change of electrical characteristics and the movement of conduction channel in 2D materials based on surface properties.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"207 ","pages":"Article 112983"},"PeriodicalIF":4.3,"publicationDate":"2025-06-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144501887","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

Defect-mediated improved electrochemical performance of WO3 incorporated MnS hetero-nanocomposites for supercapacitor electrodes in ionic electrolytes 离子电解质中WO3掺杂MnS异质纳米复合材料对超级电容器电极电化学性能的改善

IF 4.3 3区材料科学

Journal of Physics and Chemistry of Solids Pub Date : 2025-06-25 DOI: 10.1016/j.jpcs.2025.112959

Mizanur Rahaman , Md Khokon Miah , Faysual Kabir , Hossain Hridoy , Afsar Ali , Mehedi Hasan , Probal Roy , Mehedi Hasan Prince , Muhammad Rakibul Islam

{"title":"Defect-mediated improved electrochemical performance of WO3 incorporated MnS hetero-nanocomposites for supercapacitor electrodes in ionic electrolytes","authors":"Mizanur Rahaman , Md Khokon Miah , Faysual Kabir , Hossain Hridoy , Afsar Ali , Mehedi Hasan , Probal Roy , Mehedi Hasan Prince , Muhammad Rakibul Islam","doi":"10.1016/j.jpcs.2025.112959","DOIUrl":"10.1016/j.jpcs.2025.112959","url":null,"abstract":"<div><div>Here we report synthesis MnS nanoparticles, WO3 nanorods, and WO3 incorporated MnS nanocomposites (MnS/WO3) by a low-cost hydrothermal method for aqueous supercapacitor electrodes. The concentration of WO3 varied sequentially and was optimized to obtain electrodes with improved capacitive performance for supercapacitor applications. The successful production of MnS/WO3 nanocomposite was confirmed by XRD analysis, SEM images, and HR-TEM investigations. Incorporating WO3 nanorods generates defects that enhance microstrain and dislocation density and expand the interlayer spacing. In a standard three-electrode setup, the MnS/WO3 (5 wt%) nanocomposite exhibits outstanding electrochemical performance, reaching a specific capacitance of 263 F/g while the current density is 0.12 A/g. In two electrode configurations, the MnS/WO3 (5 wt%) composite provides an energy density of 5.85 Whkg−1 at a power density of 448 wkg−1 with 86 % capacitive retention after completing 6000 charge-discharge cycles. The density functional theory revealed that the Mn-3d and W-5d orbitals produce defect states in the nanocomposite. Theoretical analysis also showed that the incorporation of WO3 increases the quantum capacitance from 156 F/g to 293 F/g. The combined experimental and theoretical studies using a cost-effective technique will facilitate the development of new supercapacitor electrodes.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"207 ","pages":"Article 112959"},"PeriodicalIF":4.3,"publicationDate":"2025-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144491934","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

Effect of Cu content on the catalytic performance of Cu–Fe-based amorphous alloys fabricated via LPBF Cu含量对LPBF法制备Cu - fe基非晶合金催化性能的影响

IF 4.3 3区材料科学

Journal of Physics and Chemistry of Solids Pub Date : 2025-06-24 DOI: 10.1016/j.jpcs.2025.112975

Baichao Wang , Jia Liu , Yan Shi , Zhengzhe Sun

{"title":"Effect of Cu content on the catalytic performance of Cu–Fe-based amorphous alloys fabricated via LPBF","authors":"Baichao Wang , Jia Liu , Yan Shi , Zhengzhe Sun","doi":"10.1016/j.jpcs.2025.112975","DOIUrl":"10.1016/j.jpcs.2025.112975","url":null,"abstract":"<div><div>With high forming accuracy and material utilization, laser material additive technology provides technical support for preparing amorphous alloys with complex structures. In this paper, Cux-Fe-based amorphous alloys were made into amorphous alloy samples by LPBF technology. For the excellent catalytic performance of Cux-Fe-based amorphous alloys, the influence of Cu content on the catalytic performance of Cux-Fe-based amorphous alloys in the amorphous samples prepared by LPBF was systematically investigated under the specific experimental conditions. The results showed that the catalytic degradation efficiency of Cux-Fe-based amorphous alloys for methyl orange dye showed a tendency of first increasing and then decreasing with the increase of Cu content. Among them, the Cux-Fe-based amorphous alloy with 35 % Cu content had the best catalytic degradation performance for methyl orange dye at a concentration of 0.04 g/L. Its degradation efficiency was still as high as 95 % in 40 min after repeated degradation 10 times. The Cux-Fe-based amorphous alloys prepared by LPBF technology have very high catalytic activity, which provides a more effective and economical technical means for wastewater degradation.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"207 ","pages":"Article 112975"},"PeriodicalIF":4.3,"publicationDate":"2025-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144481651","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

Investigating the impact of increasing the N2/(Ar+N2) gas flow ratio in the presence of residual oxygen on magnetic properties of reactively sputter-deposited thin films of amorphous Al–O–N alloy 研究了在残余氧存在下增加N2/(Ar+N2)气体流量比对反应溅射沉积非晶Al-O-N合金薄膜磁性能的影响

IF 4.3 3区材料科学

Journal of Physics and Chemistry of Solids Pub Date : 2025-06-24 DOI: 10.1016/j.jpcs.2025.112964

Deena Nath , Sujay Chakravarty , U.P. Deshpande

{"title":"Investigating the impact of increasing the N2/(Ar+N2) gas flow ratio in the presence of residual oxygen on magnetic properties of reactively sputter-deposited thin films of amorphous Al–O–N alloy","authors":"Deena Nath , Sujay Chakravarty , U.P. Deshpande","doi":"10.1016/j.jpcs.2025.112964","DOIUrl":"10.1016/j.jpcs.2025.112964","url":null,"abstract":"<div><div>In the present work, we have reported the impact of increasing N2/(Ar + N2) gas flow ratio in the presence of residual oxygen on the magnetic properties of reactively sputter-deposited thin films of amorphous Al–O–N alloy. Amorphous Al–O–N alloy thin films were deposited via reactive sputtering of an aluminum target in the presence of residual oxygen, using an Ar/N2 gas mixture with increasing N2/(Ar + N2) gas flow ratios of 10 %, 20 %, and 50 %, respectively. Microstructural analysis confirms that all three films exhibit amorphous characteristics with short-range ordering. Chemical analysis indicates that a portion of aluminum reacts with nitrogen to form AlN, while the remaining film primarily consists of the Al(NOy)x phase, containing oxygen vacancy (OV) sites. At 300 K, all three films display superparamagnetic (SPM) behavior, indicating the presence of nano-scale single-domain magnetic particles. However, an increase in the N2/(Ar + N2) gas flow ratio systematically enhances both the bulk saturation magnetization and the magnetic volume fraction in the films. This enhancement correlates well with the increased formation of the Al(NOy)x phase containing OV sites. These findings suggest that oxygen vacancies within the Al(NOy)x phase play a key role in inducing magnetism in Al–O–N alloy thin films at 300K that can be tailored by manipulating the N2/(Ar + N2) flow ratios during sputter deposition. Therefore, the present study provides a new insight into tailoring the magnetic properties of amorphous Al-O-N alloy thin films by precisely controlling the deposition conditions, particularly the gas flow ratio in the presence of residual oxygen.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"207 ","pages":"Article 112964"},"PeriodicalIF":4.3,"publicationDate":"2025-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144535786","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

High Curie temperature and perpendicular magnetic anisotropy in Mn-doped MoSe2 monolayer induced by O and S impurities O和S杂质诱导的mn掺杂MoSe2单层的高居里温度和垂直磁各向异性

IF 4.3 3区材料科学

Journal of Physics and Chemistry of Solids Pub Date : 2025-06-24 DOI: 10.1016/j.jpcs.2025.112920

Nguyen Thi Han , J. Guerrero-Sanchez , D.M. Hoat

{"title":"High Curie temperature and perpendicular magnetic anisotropy in Mn-doped MoSe2 monolayer induced by O and S impurities","authors":"Nguyen Thi Han , J. Guerrero-Sanchez , D.M. Hoat","doi":"10.1016/j.jpcs.2025.112920","DOIUrl":"10.1016/j.jpcs.2025.112920","url":null,"abstract":"<div><div>Perpendicular magnetic anisotropy (PMA) and high Curie temperature are essential in two-dimensional (2D) materials for spintronic applications. In this work, we investigate the electronic and magnetic properties of MoSe2 monolayer under effects of doping with Mn atoms. Pristine MoSe2 monolayer is a <math><mrow><mi>K</mi><mo>−</mo><mi>K</mi></mrow></math> direct-gap semiconductor with a band gap of 1.44 eV. Single Mn impurity leads to the emergence of the half-metallicity in MoSe2 monolayer. 1Mn@MoSe2 system has a total magnetic moment of 1.00 <math><msub><mrow><mi>μ</mi></mrow><mrow><mi>B</mi></mrow></msub></math>. Its magnetic properties emerge mainly from Mn atom, with small contributions of their neighboring Se and Mo atoms that exhibit antiparallel alignment to Mn. The ferromagnetic semiconductor nature with a total magnetic moment of 2.00 <math><msub><mrow><mi>μ</mi></mrow><mrow><mi>B</mi></mrow></msub></math> and high Curie temperature of 599.59 K is found in 2Mn@MoSe2 system. Moreover, the calculated magnetic anisotropy energies indicate the in-plane magnetic anisotropy (IMA) of Mn-doped MoSe2 systems. Further, the IMA-to-PMA switching is achieved by incorporating O and S impurities. In these cases, the ferromagnetic semiconductor nature is preserved, however Curie temperature is reduced to 402.31 and 444.86 K, respectively. In addition, the surface formation energy analysis indicates that the doped and codoped MoSe2 systems are formed at Mo-poor and Se-poor conditions. Our findings show a way to generate new 2D magnetic materials with perpendicular magnetic anisotropy and high Curie temperature, with great potential to be applied in the spintronics field as part of ultra thin perpendicular magnetic tunnel junctions.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"207 ","pages":"Article 112920"},"PeriodicalIF":4.3,"publicationDate":"2025-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144491400","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