Solid State Communications最新文献

{"title":"MOF-integrated magnetic nanomaterials for sustainable removal of pesticide residue wastes in aqueous systems","authors":"Garima Rana ,&nbsp;Faris Alfifi ,&nbsp;Ritesh Verma ,&nbsp;Subha Krishna Rao ,&nbsp;D. Ramachandran ,&nbsp;Ankush Chauhan ,&nbsp;Majid Jabir ,&nbsp;Suresh Ghotekar","doi":"10.1016/j.ssc.2025.116137","DOIUrl":"10.1016/j.ssc.2025.116137","url":null,"abstract":"<div><div>Contamination of water has become a significant threat to the world. The agricultural industry has made enormous improvements in meeting health and life demands in recent years; nonetheless, the discharge of tiny doses of pesticides into water can cause adverse effects on both human and environmental health. Therefore, recent advances in the creation and application of magnetic nanoparticles derived from metal-organic frameworks (MOFs) for the effective removal of pesticides from water are highlighted in this review article. Porous inorganic-organic hybrid networks made of metal ions and multidentate organic ligands are known as metal-organic frameworks (MOFs), and they are interesting. Innovative multifunctional magnetic MOF-based materials are being developed by the controlled integration of magnetic nanoparticles with metal-organic frameworks (MOFs). These materials show enhanced efficiency compared to the separate components. These materials' large surface area, malleable pore size, and magnetic separability gave them unique structural characteristics and real-world implications. Adsorption and photocatalytic degradation are shown to have dual functionality in this work. Additionally, these processes work together to achieve very high removal rates for a wide range of pollutants. In addition to discussing possible ways to improve the speed of MOF-MNCs, it also addresses modern concerns about stability and scalability. This research summarises the recent noteworthy advancements in developing magnetic heterostructure materials based on MOFs for the removal of harmful environmental contaminants. Also included is a comprehensive list of all known effective methods for synthesizing magnetic MOFs. Consequently, the potential of MOF-MNCs as a practical and efficient solution to water contamination will be further explored in the future to enhance their application in this field. We conclude by outlining our expectations for the development and obstacles faced by magnetic MOF materials in the future of pollution control.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"405 ","pages":"Article 116137"},"PeriodicalIF":2.4,"publicationDate":"2025-09-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145005039","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Magnetic behaviour and magnetic entropy change of laves phase Fe2Ti intermetallic","authors":"Kowsalya Murugan ,&nbsp;S. Paulraj ,&nbsp;Srikanti Kavita ,&nbsp;Kathirvel Venugopal","doi":"10.1016/j.ssc.2025.116138","DOIUrl":"10.1016/j.ssc.2025.116138","url":null,"abstract":"<div><div>The deep insights into the magnetic and magnetocaloric behaviour of polycrystalline C14 laves phase Fe₂Ti is performed. The synthesized phase pure alloy exhibits both antiferromagnetic and ferromagnetic interactions, evident from magnetization measurements. The possibility for the occurrence of antisite disorder can be ascribed to the reason for the occurrence of mixed magnetic interactions. The critical behaviour of the alloy within the transition regime is also studied. This revealed the presence of 3D mean field type spin alignment with long-range ordering in Fe₂Ti. The maximum entropy change and relative cooling power of −0.56 J kg⁻¹ K⁻¹ and 59.88 J kg⁻¹ is attained at 273 K for an external magnetic field change of 70 kOe. This study reveals the possible exploration of Laves phase Fe₂Ti based intermetallic for room temperature solid state refrigeration.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"405 ","pages":"Article 116138"},"PeriodicalIF":2.4,"publicationDate":"2025-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145011043","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Correlated t2g-orbital physics in paramagnetic van der Waals CrSBr monolayer","authors":"Luis Craco,&nbsp;Sabrina S. Carara","doi":"10.1016/j.ssc.2025.116124","DOIUrl":"10.1016/j.ssc.2025.116124","url":null,"abstract":"<div><div>We perform a comprehensive study of paramagnetic CrSBr monolayer. Using density functional plus dynamical mean-field theory we show the role played by local dynamical many-particle interactions for understanding the emergent correlated <span><math><msub><mrow><mi>t</mi></mrow><mrow><mn>2</mn><mi>g</mi></mrow></msub></math></span> electronic state starting from an orbital-selective bandgaped semiconductor. This work is a step forward in describing the electronic structure reconstruction in two-dimensional CrSBr and its anisotropic evolution induced by the interplay between band structure and many-particle electron correlation effects.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"405 ","pages":"Article 116124"},"PeriodicalIF":2.4,"publicationDate":"2025-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145005040","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Experimental and simulation study of Cu2O-based heterojunction solar cells: Effects of bath temperature, layer thickness and defect density","authors":"Abdelghani Rahal ,&nbsp;Idris Bouchama ,&nbsp;M.A. Ghebouli ,&nbsp;B. Ghebouli ,&nbsp;M. Fatmi ,&nbsp;Talal M. Althagafi ,&nbsp;S. Boudour","doi":"10.1016/j.ssc.2025.116135","DOIUrl":"10.1016/j.ssc.2025.116135","url":null,"abstract":"<div><div>This research paper presents a comprehensive study of Cu₂O-based heterojunction solar cells, focusing on the effects of bath temperature, absorber layer thickness, and defect density on cell efficiency. Cu₂O thin films were electrochemically deposited at various bath temperatures (40–80 °C), and their structural and optical properties were investigated. Performance simulations using SCAPS software revealed that the optimal Cu₂O layer thickness is 4 μm, yielding a conversion efficiency of 12.1 %. Under optimal conditions (bath temperature 60 °C and absorber thickness 4 μm), the device achieved a simulated efficiency of 12.6 %. Results demonstrated that moderate acceptor density (10¹⁷ cm⁻³) and low defect density (10¹⁴ cm⁻³) lead to significant improvements in cell efficiency. This study provides valuable insights for developing high-efficiency Cu₂O/CdS/ZnO solar cells, emphasizing the importance of controlling deposition parameters and layer design for enhanced performance of copper oxide-based photovoltaics.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"405 ","pages":"Article 116135"},"PeriodicalIF":2.4,"publicationDate":"2025-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145020851","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Reduction of thermal conductivity and improved mechanical properties by incorporating high-entropy carbides into p-type Bi0.5Sb1.5Te3 alloy","authors":"Rathinam Vasudevan,&nbsp;Eun-Ha Go,&nbsp;Ji-Won Ha,&nbsp;Soon-Jik Hong","doi":"10.1016/j.ssc.2025.116132","DOIUrl":"10.1016/j.ssc.2025.116132","url":null,"abstract":"<div><div>High-entropy alloys have attracted considerable attention in thermoelectrics due to their severe lattice distortions and complex microstructures, which effectively reduce thermal conductivity. In this study, for the first time, high-entropy carbides (HECs) (Hf-Ta-Zr-Ti-Nb)C were introduced into water-atomized p-type Bi_0.5Sb_1.5Te₃ (BST) powder to fabricate BST + x wt% HEC (x = 0, 1, 2, 3) composites via high-energy ball milling, and their microstructural changes, thermoelectric, and mechanical properties were systematically investigated. HEC additions caused a monotonic reduction in particle size, while maintaining the rhombohedral (BiSb)₂Te₃ phase with minor peak shifts. The carrier effective mass (<em>m</em>∗) increased marginally from 0.9 to 1.0<em>m</em>_d in BST+2 wt% HEC, accompanied by a minor decrease in power factor (<em>S</em>²<em>σ</em>). On the other hand, BST+3 wt% HEC exhibited a reduced thermal conductivity (<em>κ</em>) of 1.04 W/m. K. at 350 K, attributed to multiple alloy disorder and misfit dislocations at coherent BST-HEC interfaces. Despite it, a large power factor (<em>S</em>²<em>σ</em>) of pristine BST led to a maximum figure of merit, <em>ZT</em>_max of 1.05 at 400 K, with an average <em>ZT</em>_avg of 0.87. A higher Vickers hardness of 223 Hv was obtained for BST+3 wt% HEC, attributed to the grain refinement induced by the HEC additions. This study demonstrates that high-entropy carbide doping is a promising strategy for reducing the thermal conductivity in thermoelectric alloys, offering potential for large-scale commercialization.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"405 ","pages":"Article 116132"},"PeriodicalIF":2.4,"publicationDate":"2025-09-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145060877","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Research on carbon \"cap\" induced self-assembly behavior","authors":"Qiang Zhang ,&nbsp;Danhui Zhang ,&nbsp;Xiangfei Ji ,&nbsp;Houbo Yang ,&nbsp;Dengbo Zhang ,&nbsp;Ruquan Liang ,&nbsp;Wenqiang Hu","doi":"10.1016/j.ssc.2025.116129","DOIUrl":"10.1016/j.ssc.2025.116129","url":null,"abstract":"<div><div>There are many types of carbon materials. In this manuscript, a new type of carbon structure, the \"carbon cap\", is proposed. We employed molecular dynamic simulations to investigate the carbon cap-induced self-assembly mechanism of polyethyne chains. It is found that four carbon caps arranged in parallel can successfully induce the polyethyne chain to self-curl into a helical structure, and all the carbon caps are located inside the helical structure. In addition, the effects of the number of carbon caps, the length of the polyethyne chain, and the simulation temperature on the final configuration were investigated. This study will provide theoretical support for the construction of novel carbon composites.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"404 ","pages":"Article 116129"},"PeriodicalIF":2.4,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144932229","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Propylenidene: A novel metallic carbon monolayer with unconventional ring topology","authors":"José A.S. Laranjeira ,&nbsp;K.A.L. Lima ,&nbsp;Nicolas F. Martins ,&nbsp;Luis A. Cabral ,&nbsp;L.A. Ribeiro Junior ,&nbsp;Julio R. Sambrano","doi":"10.1016/j.ssc.2025.116121","DOIUrl":"10.1016/j.ssc.2025.116121","url":null,"abstract":"<div><div>Two-dimensional (2D) carbon allotropes have drawn significant interest owing to their impressive physical and chemical characteristics. Following graphene’s isolation, a wide range of 2D carbon materials has been suggested, each with distinct electronic, mechanical, and optical traits. Rational design and synthesis of new 2D carbon structures hinge on experimentally reported precursors. Here, we present a 2D carbon allotrope, propylenidene (PPD), originating from bicyclopropylidene. PPD forms a rectangular lattice with 3, 8, and 10-membered carbon rings. Density functional theory (DFT) simulations investigate its structural, electronic, mechanical, and optical properties. Our study shows PPD to be metallic. PPD exhibits absorption in the infrared and visible range, showing directional dependence in its response. Mechanically, PPD exhibits marked anisotropy; Young’s modulus (<span><math><mi>Y</mi></math></span>) varies between 205.83 N/m and 164.46 N/m. These findings underscore the potential of this novel monolayer in applications such as energy storage, gas sensing, and optoelectronics.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"405 ","pages":"Article 116121"},"PeriodicalIF":2.4,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145005041","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Effects of Hubbard U correction on the electronic and magnetic properties of Cr- and Ti-doped aluminum phosphide (AlP)","authors":"Dereje Fufa Hirpa ,&nbsp;Mekuria Tsegaye Alemu ,&nbsp;Natei Ermias Benti ,&nbsp;Kingsley Onyebuchi Obodo ,&nbsp;Chernet Amente Geffe","doi":"10.1016/j.ssc.2025.116097","DOIUrl":"10.1016/j.ssc.2025.116097","url":null,"abstract":"<div><div>Chromium- and titanium-doped aluminum phosphides have the potential to exhibit half-metallic ferromagnetism, making them a promising candidates for spintronic applications. However, accurately capturing the electron–electron correlations within the d orbital to predict the magnetic and electronic properties remains a challenge when standard density functional theory (DFT) is used. In this study, we used the PBE functional and its Hubbard <span><math><mi>U</mi></math></span> correction (PBE+U) to accurately capture the on-site Coulomb interaction of localized d orbitals. The results reveal that incorporating the Hubbard <span><math><mi>U</mi></math></span> correction transforms the indirect bandgap of Al_0.75Cr_0.25P into the direct bandgap in the spin-down channel and improves the electronic character of Al_0.875Cr_0.125P from the metallic state to the half-metallic state. Moreover, it enhances the spin magnetic moment of both the dopant atoms and the doped systems and increases the occupancy of the d-orbital components in the spin-up channel. These findings offer strong evidence of the impressive half-metallic behavior of Cr- and Ti-doped AlP when the Hubbard <span><math><mi>U</mi></math></span> correction is applied, highlighting their significant potential for future spintronic applications.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"404 ","pages":"Article 116097"},"PeriodicalIF":2.4,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144988328","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Optical and photocatalytic property of zinc sulfide/graphene (ZnS/G) heterostructure using Density Functional Theory (DFT)","authors":"Tofik Achalu Hussen ,&nbsp;Mulualem Abebe Mekonnen ,&nbsp;Newayemedhin A. Tegegne ,&nbsp;Fekadu Gashaw Hone","doi":"10.1016/j.ssc.2025.116128","DOIUrl":"10.1016/j.ssc.2025.116128","url":null,"abstract":"<div><div>The ZnS/G heterostructure has bring in significant interest for its promising applications in the field of photocatalysis. Utilizing the CASTEP module within the MATERIAL STUDIO software, calculations were conducted to investigate the electronic and photocatalytic properties of ZnS/G heterostructures. This study focuses on the adsorption property of zinc sulfide, independently and in hetrostructure with graphene, employing Density Functional Theory (DFT) for a comprehensive evaluation, through the utilization of the Material Studio software. ZnS exhibits potential for photocatalytic functions, yet its wide bandgap poses limitations on its efficiency. To enhance the light absorption capacity of ZnS, a monolayer of ZnS was synthesized in hetrostructure with graphene, leading to the heterostructure of ZnS and G. The computational findings indicate that the ZnS/G heterostructure displays improved adsorption properties compared to individual ZnS. The calculated parameters demonstrate a significant alignment with existing experimental data and theoretical investigations. The observed shift in the absorption coefficient towards longer wavelengths underscores the potential of ZnS/G for photocatalytic tasks. Moreover, the heightened refractive index suggests the presence of additional charges that impede light transmission. This study underscores the superior photocatalytic activity of the ZnS/G composite, emphasizing the viability of graphene-based metal sulfides in efficient photocatalytic applications.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"405 ","pages":"Article 116128"},"PeriodicalIF":2.4,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145046847","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"High-field domain: The main contributor to the Mott insulator–metal transition in (V0.99Cr0.01)2O3 under electric pulses","authors":"Xiaotong Chen ,&nbsp;Guoqiang Xiao ,&nbsp;Li Du ,&nbsp;Ruiyang Jiao ,&nbsp;Chenguang Zhang ,&nbsp;Yongchang Ma","doi":"10.1016/j.ssc.2025.116120","DOIUrl":"10.1016/j.ssc.2025.116120","url":null,"abstract":"<div><div>Unravelling the mechanisms of insulator–metal transitions (IMT) is crucial both for the basic understanding of the microscopic processes and for exploring novel functionalities. The challenge in distinguishing between the thermal- and field-driven effects that dominate the IMT arises from the concurrent Joule heating. We propose a unique system, (V_0.99Cr_0.01)₂O₃, exhibiting the first-order paramagnetic metallic to insulating transition during heating, and thus it separates the contribution from heating and/or field naturally: a pulsed electric field drives the resistance decrease, whereas a thermal process increases the resistance value due to the high-temperature insulating state. Moreover, our stimulation results indicate that the calculated high-field domains in a non-equilibrium state are responsible for the Mott IMTs in (V_0.99Cr_0.01)₂O₃ crystals under electric pulses.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"404 ","pages":"Article 116120"},"PeriodicalIF":2.4,"publicationDate":"2025-08-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144996865","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}