Solid State Communications最新文献

{"title":"NSRGO/PDPA supported PdPb alloy nanoparticles: Electrocatalyst for methanol oxidation","authors":"Pavithra Bharathi Sundararajan,&nbsp;Francklin Philips Muthukrishnan","doi":"10.1016/j.ssc.2025.116286","DOIUrl":"10.1016/j.ssc.2025.116286","url":null,"abstract":"<div><div>We delineate a simple methodology for the synthesis of N/S-doped reduced graphene oxide-polydiphenylamine (NSRGO/PDPA) supported palladium-lead (PdPb) alloy nanoparticles (NPs) electrocatalysts with different loadings of Pd and Pb via a facile chemical reduction of mixed metal salt precursors using sodium borohydride and starch as the reducing and capping agents, respectively to hamper aggregation of PdPb alloy NPs. The inherent meritorious properties of NSRGO and PDPA were employed for the preparation of a robust support matrix to anchor as well as to improve the efficacy of the PdPb alloy NPs. The electrocatalytic performance of the electrocatalysts (Pd/PdPb-NSRGO/PDPA) has been examined towards methanol oxidation in aqueous NaOH solution. Field emission scanning electron microscopy, transmission electron microscopy, energy dispersive X-ray spectroscopy, elemental mapping, X-ray photoelectron spectroscopy and X-ray diffraction analysis were used to study the characteristics of the electrocatalysts. The performance of electrocatalysts toward the electro-oxidation methanol in 1 M NaOH were investigated by various electroanalytical techniques. Among the Pd/PdPb electrocatalysts, PdPb(1:1) displayed better electrocatalytic activity and stability/durability towards poisoning. The results revealed that the morphology of PdPb alloy NPs, synergism of N/S-doped RGO, intrinsic properties of PDPA and included Pb into Pd lattice contributes to the electrocatalytic efficiency of the electrocatalysts. Specifically, the presence of Pb content in Pd lattice and the amine (-NH₂) groups of PDPA chain have pivotal roles in regulating/modifying the size/shape of the PdPb alloy NPs onto NSRGO/PDPA support matrix.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"409 ","pages":"Article 116286"},"PeriodicalIF":2.4,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145797245","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":"Nanomaterials for photoelectrochemical energy conversion: Advances and challenges","authors":"Vijay A. Mane ,&nbsp;Dnyaneshwar V. Dake ,&nbsp;Nita D. Raskar ,&nbsp;Ramprasad B. Sonpir ,&nbsp;Kartik M. Chavan ,&nbsp;Sushant S. Munde ,&nbsp;Pavan R. Kayande ,&nbsp;Jagruti S. Pawar ,&nbsp;Sandeep B. Somvanshi ,&nbsp;Babasaheb N. Dole","doi":"10.1016/j.ssc.2025.116282","DOIUrl":"10.1016/j.ssc.2025.116282","url":null,"abstract":"<div><div>This review systematically analyzes the latest advances in nanomaterials for photoelectrochemical energy conversion. Comprehensive discussions cover the development of oxide, chalcogenide, perovskite, MXene, and carbon nanostructures. Key sections detail design principles, including band-gap engineering, defect creation, surface modification, and heterojunction formation. Experimental synthesis methods such as hydrothermal, solvothermal, and green chemistry are assessed, with performance data provided–for example, CuO nanoparticles achieving 41.57 mA cm⁻² at 0.6 V and Sb₂Se₃ yielding 30 mA cm⁻² for water splitting. The review highlights numerical metrics for photocurrent enhancement, stability, and solar-to-hydrogen efficiencies, along with practical examples of hybrid and composite photoelectrodes. Applications in solar fuel generation, pollutant degradation, and energy storage are critically evaluated. The work concludes with future directions for scalable, sustainable PEC nanotechnologies.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"409 ","pages":"Article 116282"},"PeriodicalIF":2.4,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145797242","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":"Influence of 2 MeV electron irradiation on the band gap of TlGaS2 and TlGaSe2 single crystals","authors":"S. Kh. Umarov ,&nbsp;N.Z. Gasanov ,&nbsp;F.К. Khallokov ,&nbsp;Z.M. Narzullayeva ,&nbsp;A.A. Ahadov","doi":"10.1016/j.ssc.2025.116290","DOIUrl":"10.1016/j.ssc.2025.116290","url":null,"abstract":"<div><div>The influence of 2 MeV electron irradiation on the optical band gap of TlGaS₂ and TlGaSe₂ layered single crystals was systematically examined. High-purity crystals were grown using the Bridgman–Stockbarger technique and irradiated with electron fluences up to 1 × 10¹⁶ e/cm². Room-temperature optical absorption spectra were analyzed, and the band gap (<span><math><mrow><msub><mi>E</mi><mi>g</mi></msub></mrow></math></span>) values were extracted using the Tauc method from the linear regions of (αhν)² versus photon energy. Irradiation was found to induce a measurable widening of the band gap in both compounds: for TlGaS₂, <span><math><mrow><msub><mi>E</mi><mi>g</mi></msub></mrow></math></span> increased from 2.517 to 2.537 eV, whereas for TlGaSe₂ it increased more significantly, from 2.036 to 2.108 eV. The observed behavior is attributed to irradiation-driven lattice relaxation and a reduction in dislocation density, which together result in slight lattice compression and modifications to the electronic band structure. These results provide new insight into the mechanisms governing radiation-induced changes in layered AIII–BIII–C₂VI semiconductors and highlight the relevance of TlGaS₂ and TlGaSe₂ for radiation-tolerant optoelectronic applications.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"409 ","pages":"Article 116290"},"PeriodicalIF":2.4,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145797294","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":"Elucidating reactive species in mesoporous MnO2-reduced graphene oxide-based Ni-doped cobalt oxide for environmental remediation via scavenger studies","authors":"N.D. Raskar ,&nbsp;D.V. Dake ,&nbsp;V.A. Mane ,&nbsp;R.B. Sonpir ,&nbsp;K.M. Chavan ,&nbsp;S.S. Munde ,&nbsp;P.R. Kayande ,&nbsp;B.N. Dole","doi":"10.1016/j.ssc.2026.116331","DOIUrl":"10.1016/j.ssc.2026.116331","url":null,"abstract":"<div><div>This study reports the synthesis and characterization of MnO₂-reduced graphene oxide-based pure and Ni-doped cobalt oxide (GCMO and GNCMO) nanocomposites as efficient photocatalysts for environmental remediation. XRD confirms the spinel structure of Co₃O₄ and the tetragonal phase of MnO₂, while rGO incorporation is validated by a broad peak at 26.5°. FESEM reveals spherical GCMO and nanorod-shaped GNCMO, influenced by Ni doping. GNCMO exhibits a lower bandgap (2.5 eV) than GCMO (2.7 eV), enabling superior visible-light absorption. BET analysis shows a higher surface area for GNCMO (229.09 m²/g) than GCMO (71.61 m²/g). PL studies indicate reduced recombination in GNCMO. I-V analysis confirms enhanced photosensitivity (47.89 %). GNCMO achieved superior photocatalytic degradation of MB (88.86 %), MO (93.95 %), and mixed dyes (∼82 %). Scavenger studies highlight the role of H₂O₂ and EDTA in enhancing degradation. This work offers a scalable strategy for sustainable nanocomposite-based remediation.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"409 ","pages":"Article 116331"},"PeriodicalIF":2.4,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146073548","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":"Synthesis, characterization, and catalytic degradation of Malachite Green using zinc-supported hydroxyapatite and nickel ferrite nanocomposites","authors":"Md Nishad Sharkar ,&nbsp;Md Arif Hossain ,&nbsp;Mosfiqur Rahman ,&nbsp;Nilufer Yesmin Tanisa ,&nbsp;Shamim Al Mamun ,&nbsp;Md Mahbubul Haque ,&nbsp;Mominul Islam","doi":"10.1016/j.ssc.2026.116312","DOIUrl":"10.1016/j.ssc.2026.116312","url":null,"abstract":"<div><div>The contamination of water by synthetic dyes such as Malachite Green (MG) remains a pressing environmental challenge due to their carcinogenic, mutagenic, and genotoxic effects. In this work, a zinc-supported hydroxyapatite/nickel ferrite (Zn/HAP/NiFe₂O₄) nanocomposite was synthesized via a hydrothermal route and systematically characterized for its catalytic efficiency in degrading MG. X-ray diffraction confirmed the coexistence of hexagonal HAP and cubic spinel NiFe₂O₄ phases, with zinc incorporation enhancing crystallinity and active site density. FTIR spectra validated the presence of phosphate, hydroxyl, and metal–oxygen vibrations, while magnetic measurements demonstrated the composite's recoverability using an external magnet. Catalytic degradation experiments revealed that H₂O₂ alone achieved only ∼10 % MG removal after 120 min, whereas Zn/HAP/NiFe₂O₄ achieved 82.65 % degradation under identical conditions. Kinetic analysis indicated a first-order reaction with a rate constant of 0.01499 min⁻¹ (R² = 0.97). Recyclability tests showed excellent stability, with ∼80 % efficiency retained after five cycles. Comparative evaluation with other ferrite-based catalysts highlighted the competitive performance of the Zn/HAP/NiFe₂O₄ composite at low catalyst loading (0.2 mg/L). The synergistic role of zinc in stabilizing Fe²⁺ ions and promoting hydroxyl radical generation was identified as the key factor. These findings demonstrate the composite's promise as a cost-effective, reusable catalyst for advanced wastewater treatment.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"409 ","pages":"Article 116312"},"PeriodicalIF":2.4,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145921163","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":"Molecular dynamics investigation of crack propagation and damage tolerance in crystalline and amorphous nickel","authors":"S. Bogtob,&nbsp;H. Kourbani,&nbsp;A. Samiri,&nbsp;A. Hasnaoui","doi":"10.1016/j.ssc.2026.116328","DOIUrl":"10.1016/j.ssc.2026.116328","url":null,"abstract":"<div><div>This paper presents molecular dynamics (MD) simulations to explore the mechanical behavior and fracture mechanisms of Ni-based crystalline and metallic glass (MG) systems under uniaxial tensile loading. The simulations utilized an embedded atom method (EAM) potential to represent interatomic interactions. Defect-free and pre-cracked configurations were analyzed to evaluate how structural imperfections impact mechanical performance. The results indicate that Ni-crystalline structures possess greater stiffness and strength but are considerably more susceptible to crack initiation and propagation, exhibiting brittle fracture characteristics. Conversely, Ni-MGs show lower strength but improved damage tolerance and enhanced crack resistance, attributed to their amorphous structure and shear transformation zone (STZ)-mediated plasticity. The crack growth analysis revealed that Ni-MGs effectively delay crack progression and encourage crack tip blunting more than Ni-crystalline, a phenomenon evidenced by an increased crack tip curvature radius and uniform deformation. These results highlight the benefits of MGs in contexts demanding high fracture toughness and energy absorption.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"409 ","pages":"Article 116328"},"PeriodicalIF":2.4,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146073547","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":"First-principles insights into CO2-Induced Ultralow friction in hexagonal boron nitride nanosheets","authors":"Jing Zhang ,&nbsp;Yujin Zhang ,&nbsp;Jie Sun ,&nbsp;Jiancai Leng ,&nbsp;Chun-Ming Wang","doi":"10.1016/j.ssc.2026.116327","DOIUrl":"10.1016/j.ssc.2026.116327","url":null,"abstract":"<div><div>In practical applications, the tribological performance of materials is critically dependent on ambient atmospheric conditions, particularly humidity. Beyond humidity, this study investigates the influence of another prevalent atmospheric component—carbon dioxide (CO₂)—on the interlayer friction of hexagonal boron nitride nanosheets (h-BNNS) using first-principles calculations. Our computational results demonstrate that the intercalation of CO₂ molecules, except in configurations involving two molecules, consistently reduces interlayer friction. This frictional reduction is primarily attributed to an increased interlayer spacing and a consequent decrease in the effective contact area. However, when a minimal quantity of CO₂ is introduced, a counteracting edge pinning effect emerges, leading to an increase in the interlayer slip resistance. These phenomena can be coherently explained by the mechanism of interfacial electron redistribution induced by CO₂. The findings offer fundamental insights with potential implications for the design of tunable lubrication systems and novel strategies for CO₂ capture and utilization.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"409 ","pages":"Article 116327"},"PeriodicalIF":2.4,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146034261","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":"Hund’s coupling driven phase transitions in the spin-1/2 Falicov–Kimball model on a triangular lattice","authors":"Swati Pandey ,&nbsp;Umesh K. Yadav ,&nbsp;Pradip K. Priya ,&nbsp;Sarita Khandka","doi":"10.1016/j.ssc.2025.116296","DOIUrl":"10.1016/j.ssc.2025.116296","url":null,"abstract":"<div><div>Electronic and magnetic phase transitions in the spin-<span><math><mrow><mn>1</mn><mo>/</mo><mn>2</mn></mrow></math></span> Falicov–Kimball model on a triangular lattice with the Hund’s exchange correlation (Hund’s coupling) are explored, employing the numerical calculation and classical Monte-Carlo simulation methods. In the ground state with change of Hund’s exchange correlation and onsite Coulomb correlation, magnetic configurations of regular Neel ordered antiferromagnetic pattern, ferromagnetic pattern, and mixed-magnetic pattern of both, are observed. These magnetic phases exhibit metal–insulator and magnetic phase transitions in the system. It is noted that the <span><math><mi>d</mi></math></span>-electron density varies significantly with Hund’s coupling and plays a key role in the electronic and magnetic phase transitions. These results are applicable to the low-dimensional layered systems such as <span><math><msub><mrow><mi>GdI</mi></mrow><mrow><mn>2</mn></mrow></msub></math></span>, <span><math><msub><mrow><mi>NaTiO</mi></mrow><mrow><mn>2</mn></mrow></msub></math></span> and <span><math><mrow><msub><mrow><mi>Ta</mi></mrow><mrow><mn>2</mn></mrow></msub><msub><mrow><mi>NiSe</mi></mrow><mrow><mn>5</mn></mrow></msub></mrow></math></span> etc., and are useful for developing electrical and magnetic sensors, as well as high-energy and magnetic storage devices.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"409 ","pages":"Article 116296"},"PeriodicalIF":2.4,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145837324","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":"Highly accurate first-principles G0W0+BSE investigation of structural, elastic, mechanical, electronic and optical properties of Ba3AsI3 perovskite for solar energy harvesting","authors":"Y.A. Sade ,&nbsp;G. Babaji ,&nbsp;Abdullahi Lawal ,&nbsp;A.S. Gidado","doi":"10.1016/j.ssc.2026.116316","DOIUrl":"10.1016/j.ssc.2026.116316","url":null,"abstract":"<div><div>This study presents a comprehensive investigation of the structural, electronic, elastic, mechanical, and optical properties of lead-free Ba₃AsI₃ perovskite using density functional theory (DFT) and many-body perturbation theory (MBPT) within the G₀W₀ approximation and Bethe-Salpeter equation (BSE). Our DFT result shows that the Perdew-Burke-Ernzerhof (PBE) exchange-correlation functional with spin-orbit coupling (SOC) accurately reproduces the experimental lattice parameter, confirming the reliability of our computational approach. Using G₀W₀ calculations, we established that Ba₃AsI₃ is a direct bandgap material with a bandgap energy of 1.41 eV, making it highly suitable for optoelectronic applications. The calculated elastic constants and mechanical properties confirm the mechanical stability and brittle nature of Ba₃AsI_3. The calculated optical properties evaluated with BSE to account for electron-hole interactions reveal a redshift in the optical absorption spectrum, showing a prominent excitonic peak at 1.37 eV and a binding energy of 0.0237 eV. The absorption coefficient spectrum exhibits a strong absorption peak in the visible region, demonstrating the potential of Ba₃AsI₃ as a highly efficient absorber. The calculated electron energy loss function shows a maximum peak at 9.4 eV (G₀W₀+RPA) and 8.0 eV (G₀W₀+BSE), indicating energy loss due to inelastic interactions. The close agreement of our results with available theoretical and experimental data validates the accuracy and reliability of our computational approach. Overall, this study provides a comprehensive understanding of the physical properties of Ba₃AsI₃, laying a solid foundation for the design and optimization of Ba3AsI3-based devices for efficient solar energy harvesting and optoelectronic applications.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"409 ","pages":"Article 116316"},"PeriodicalIF":2.4,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145921158","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":"Fe-doping-induced band structure modification and cryogenic phase stability in Cs2AgBiBr6 single crystals","authors":"Yanan Li ,&nbsp;Xuejiao Wu ,&nbsp;Jidong Deng ,&nbsp;Jinbao Zhang","doi":"10.1016/j.ssc.2026.116319","DOIUrl":"10.1016/j.ssc.2026.116319","url":null,"abstract":"<div><div>Despite its promise as a lead-free alternative, the practical application of Cs<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>AgBiBr<span><math><msub><mrow></mrow><mrow><mn>6</mn></mrow></msub></math></span> in optoelectronics is limited by its wide band gap and detrimental intrinsic defects. To overcome these challenges, we synthesized Cs<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>AgBi_0.5Fe_0.5Br<span><math><msub><mrow></mrow><mrow><mn>6</mn></mrow></msub></math></span> single crystals via a modified hydrothermal method. While both pristine and Fe-doped crystals undergo a structural phase transition near 125 K, Fe incorporation fundamentally alters its impact. The dopant simultaneously narrows the band gap in the high-temperature phase and suppresses the associated cryogenic structural instability. Our optical and X-ray structural studies establish Fe doping as a powerful strategy for tailoring the properties of Cs<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>AgBiBr<span><math><msub><mrow></mrow><mrow><mn>6</mn></mrow></msub></math></span>, advancing its potential for high-performance, low-temperature optoelectronic and spintronic devices.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"409 ","pages":"Article 116319"},"PeriodicalIF":2.4,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145921159","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}