Journal of Physics and Chemistry of Solids最新文献

{"title":"An ab-initio investigation of Cd-based defect chalcopyrite-type semiconductors: Promising candidates for sustainable energy goals","authors":"Ankita Nayak, Sambit Jena, Priyadarshini Parida","doi":"10.1016/j.jpcs.2026.113537","DOIUrl":"10.1016/j.jpcs.2026.113537","url":null,"abstract":"<div><div>This work focuses on the thermoelectric behavior of CdGa<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>X<span><math><msub><mrow></mrow><mrow><mn>4</mn></mrow></msub></math></span> (X = S, Se, and Te) defect chalcopyrite compounds, carried out using density functional theory (DFT) within the generalized gradient approximation (GGA). The ab-initio structural analysis of these body-centered tetragonal compounds reveals a systematic increase in lattice parameters from CdGa<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>S<span><math><msub><mrow></mrow><mrow><mn>4</mn></mrow></msub></math></span> to CdGa<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>Te<span><math><msub><mrow></mrow><mrow><mn>4</mn></mrow></msub></math></span>, along with the deviation from the ideal chalcopyrite structure. CdGa<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>S<span><math><msub><mrow></mrow><mrow><mn>4</mn></mrow></msub></math></span> exhibits the highest thermodynamic stability, having the lowest cohesive energy. The value of lowest defect formation energy of all the compounds confirmed that the formation of the defects can be done easily. The electronic properties show that all three systems are direct band gap semiconductors. The ductile nature of these compounds is obtained from the elastic behaviors, with CdGa<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>S<span><math><msub><mrow></mrow><mrow><mn>4</mn></mrow></msub></math></span> having the maximum stiffness. All the compounds are found to be thermally stable at elevated temperature (at 800K) through AIMD calculations. The electronic thermoelectric properties are calculated using the semi-classical Boltzmann transport theory. The thermoelectric parameters are calculated w.r.t. temperature, carrier concentration, and chemical potential, revealing enhanced performance under p-type doping. CdGa<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>S<span><math><msub><mrow></mrow><mrow><mn>4</mn></mrow></msub></math></span> and CdGa<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>Se<span><math><msub><mrow></mrow><mrow><mn>4</mn></mrow></msub></math></span> show peak ZT values at high temperatures with a carrier concentration of 10<sup>18</sup> cm<sup>−3</sup>, while CdGa<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>Te<span><math><msub><mrow></mrow><mrow><mn>4</mn></mrow></msub></math></span> peaks at 10<sup>20</sup> cm<sup>−3</sup>. Using the deformation potential theory and Slack method, the carrier relaxation time and the lattice thermal conductivity are determined, respectively. This study highlights the potential of CdGa<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>X<span><math><msub><mrow></mrow><mrow><mn>4</mn></mrow></msub></math></span> compounds as promising ther","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"212 ","pages":"Article 113537"},"PeriodicalIF":4.9,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145979767","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}

{"title":"Confinement of quasi-atomic structures in Ti2N and Ti3N2 MXene electrides","authors":"Chandra M. Adhikari ,&nbsp;Dinesh Thapa ,&nbsp;Talon D. Alexander ,&nbsp;Christopher K. Addaman ,&nbsp;Shubo Han ,&nbsp;Bishnu P. Bastakoti ,&nbsp;Daniel E. Autrey ,&nbsp;Svetlana Kilina ,&nbsp;Binod K. Rai ,&nbsp;Bhoj Gautam","doi":"10.1016/j.jpcs.2026.113534","DOIUrl":"10.1016/j.jpcs.2026.113534","url":null,"abstract":"<div><div>Metal carbides, nitrides, or carbonitrides of early transition metals, better known as MXenes, possess notable structural, electrical, and magnetic properties. Analyzing electronic structures by calculating structural stability, band structure, density of states, Bader charge transfer, and work functions utilizing first principle calculations, we revealed that titanium nitride MXenes, namely Ti<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>N and Ti<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span>N<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>, have excess anionic electrons in their lattice voids, making them MXene electrides. Bulk Ti<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span>N<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> has competing antiferromagnetic (AFM) and ferromagnetic (FM) configurations with slightly more stable AFM configuration, while the Ti<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>N MXene is nonmagnetic. Although Ti<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span>N<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> favors AFM configuration with hexagonal crystal systems having <span><math><mrow><mn>6</mn><mo>/</mo><mi>m</mi><mi>m</mi><mi>m</mi></mrow></math></span> point group symmetry, Ti<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span>N<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> does not support altermagnetism. The monolayer of the Ti<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span>N<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> MXene is a ferromagnetic electride. These unique properties of having non-nuclear interstitial anionic electrons in the electronic structure of titanium nitride MXene have not yet been reported in the literature. Density functional theory calculations show TiN is neither an electride, MXene, or magnetic.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"212 ","pages":"Article 113534"},"PeriodicalIF":4.9,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145979764","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}

{"title":"Structural, optical and magnetic properties of Fe3O4-rGO nanocomposite for removal of four organic dyes from aqueous solutions","authors":"Mihir Ranjan Bera ,&nbsp;Supriya Ghosal ,&nbsp;Tilak Narayan Ghosh ,&nbsp;Makhanlal Nanda Goswami ,&nbsp;Debnarayan Jana","doi":"10.1016/j.jpcs.2026.113570","DOIUrl":"10.1016/j.jpcs.2026.113570","url":null,"abstract":"<div><div>Pure rGO and Fe₃O₄-rGO nanocomposite has been prepared successfully through the chemical precipitation technique. The structural properties of the prepared nanocomposite have been assessed by X-ray diffraction, TEM, XPS, FESEM, Raman Spectroscopy and FTIR. The membrane-type layer structure of rGO and the decorated Fe₃O₄ of average size 15 nm on the membrane of rGO are observed. The structural and optical properties of Fe₃O₄-rGO nanocomposite have been analyzed using first principles density functional framework. The expected bandgap energy for rGO and Fe₃O₄-rGO nanocomposite have been obtained experimentally utilizing UV–Vis spectroscopy and calculated theoretically using time-dependent density functional theory. The signature of super paramagnetic property of the prepared Fe₃O₄-rGO nanocomposite with saturation magnetization 15.85 emu g⁻¹ has been observed from the measurement of magnetization with magnetic field (0–2 T). The photocatalytic activity of the sample for dye degradation has been performed under solar irradiation. The potential degradation efficiencies of Fe₃O₄-rGO nanocomposite have been observed for anionic dyes Methyl Blue (MB), Orange G(OG) and cationic dyes Rhodamine Blue (RhB), Methyl green (MG) with efficiency 89.05 %,75.25 %, 88.70 % and 99.30 % respectively in 120 min.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"212 ","pages":"Article 113570"},"PeriodicalIF":4.9,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146170432","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}

{"title":"Molecular extension of APFO-green with electron acceptors as Push-Pull NIR switches for analysis of photovoltaic parameters with Python trained data","authors":"Mamduh J. Aljaafreh ,&nbsp;Sadaf Noreen","doi":"10.1016/j.jpcs.2026.113515","DOIUrl":"10.1016/j.jpcs.2026.113515","url":null,"abstract":"<div><div>A series of new organic dyes are designed by theoretically extending <em>APFO-Green</em> moiety with electron acceptors. The designed dyes exhibit a significant red shift in their absorption spectra, ranging from 578 to 856 nm, compared to the parent moiety (475 nm). The analysis of electronic excitations and charge density difference reveals substantial charge transfer and electron density redistribution. The calculated photovoltaic (<em>PV</em>) parameters, including Light-Harvesting Efficiency (<em>LHE</em>), Open-Circuit Voltage (<em>V</em>_<em>oc</em>), Fill Factor (<em>FF</em>), and Short-Circuit Current Density (<em>J</em>_<em>sc</em>), demonstrate varying performance having value raged of <em>LHE</em> = 12–73 %, <em>V</em>_<em>oc</em> = 0.58–2.19 <em>V</em>, <em>FF</em> = 0.42–0.67, and <em>J</em>_<em>sc</em> = 3.67–13.85 mA/cm². To compare the current results, an analysis of reported organic dyes is conducted from year 2017–2025 by collecting 250 datapoints of reported <em>J</em>_<em>sc</em>, <em>V</em>_<em>oc</em>, and <em>FF</em> values. The comparison of various models shows that Gradient Boosting produces a coefficient determination (<em>R</em>^<em>2</em>) of 0.81–0.86 for predicting <em>J</em>_<em>sc</em>, <em>FF</em>, and 0.64 for <em>V</em>_<em>oc</em>. These findings provide understanding into the structural basis of organic dyes and <em>PV</em> performance to development donor-acceptor dyes.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"212 ","pages":"Article 113515"},"PeriodicalIF":4.9,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145980343","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}

{"title":"Advances in graphene-based composite materials for lithium-ion battery electrodes: A critical review","authors":"Arooj Fatima ,&nbsp;Sami Ullah ,&nbsp;Ali Ali-zada ,&nbsp;Aziz ur Rehman ,&nbsp;Ibrahim A. Shaaban ,&nbsp;Md Mahbubur Rahman ,&nbsp;Iqra Razzaq ,&nbsp;Muhammad Arshad ,&nbsp;Syed Shoaib Ahmad Shah ,&nbsp;Muhammad Altaf Nazir","doi":"10.1016/j.jpcs.2026.113530","DOIUrl":"10.1016/j.jpcs.2026.113530","url":null,"abstract":"<div><div>Remarkable durability in combination with electrical conductivity, as well as large surface area, makes graphene and its composites an appealing prospect as Lithium-ion battery electrode material (LIBs). With specific emphasis on graphene composites with layered double hydroxide (LDH), metal-organic frameworks (MOFs), Silicon (Si), and metal oxides (MO), this paper presents the advances in graphene-based composites in Li-ion batteries. This review article specifically focused on the various synthesis methods of graphene and its composites with LDH, MOF, Si and metal oxides. As lithium-ion batteries continue to face limitations in charge storage, power performance, and long-term stability, there remains a strong need for further advancement. This article explores the potential of incorporating graphene-based composite materials into lithium-ion battery electrode as a promising strategy to address these challenges. In conclusion, this study provides a comprehensive summary of performance of various graphene based composites, current challenges and recommendations for future research in LIBs.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"212 ","pages":"Article 113530"},"PeriodicalIF":4.9,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145979773","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}

{"title":"The catalytic effect of Ni(CO)4 on the microstructure, dynamics and thermodynamics on Mg-based hydrogen storage materials containing C/Pr2O3 catalytic material","authors":"Hui Yong ,&nbsp;Wanming Lin ,&nbsp;Ning Wang ,&nbsp;Wengang Bu ,&nbsp;Liang Liu ,&nbsp;Linhai Tian ,&nbsp;Jifan Hu ,&nbsp;Yanghuan Zhang","doi":"10.1016/j.jpcs.2026.113564","DOIUrl":"10.1016/j.jpcs.2026.113564","url":null,"abstract":"<div><div>In this experiment, the microscopic structure tests of the samples were carried out using material characterization techniques such as transmission electron microscopy, scanning electron microscopy, and X-ray diffraction. Pressure composition-isotherm measurements were performed to evaluate the hydrogen storage performance of the samples. The sample with different Ni(CO)₄ contents were prepared. Notably, the activation energy for dehydrogenation of pure magnesium is 126 kJ/mol, while that of the Mg₉₆NiLa₃ + 5 wt% C/Pr₂O₃ + 1 wt% Ni(CO)₄ sample is 80.1 kJ/mol and that of the Mg₉₆NiLa₃ + 5 wt% C/Pr₂O₃ + 9 wt% Ni(CO)₄ sample is 61.6 kJ/mol. Compared with pure magnesium, the sample's dehydrogenation rate was significantly improved. This is attributed to the ultrafine structure and the \"surface film\" of Ni(CO)₄, which endow Ni(CO)₄ with a superior catalytic effect during the alloy's hydrogen absorption/desorption process, reducing the reaction threshold. For the Mg₉₆NiLa₃ + 5 wt% C/Pr₂O₃ + 9 wt% Ni(CO)₄ alloy, the enthalpy change of dehydrogenation was 67.4 kJ/mol, indicating that the improvement of the thermodynamic properties corresponding to Ni(CO)₄ is also meaningful.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"212 ","pages":"Article 113564"},"PeriodicalIF":4.9,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146078255","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}

{"title":"BiVO4 nanoparticles and Ag nanoparticles co-decorated with tubular carbon nitride: A ternary heterostructure photocatalyst for degradation of organic pollutants in water","authors":"Lin Gao ,&nbsp;Chunjian Ai ,&nbsp;Liang Liang ,&nbsp;Xiuying Li ,&nbsp;Xue Lin ,&nbsp;Junyou Shi","doi":"10.1016/j.jpcs.2026.113543","DOIUrl":"10.1016/j.jpcs.2026.113543","url":null,"abstract":"<div><div>Photocatalytic technology represents an effective and cost-efficient approach to the degradation of organic pollutants. This paper presents an investigation into the degradation ability of <em>ms</em>-BVO/TCN/Ag composite for organic pollutants at different ratios. The 7.5 % <em>ms</em>-BVO/TCN/Ag sample was observed to exhibit the most effective degradation performance under visible light irradiation, with degradation rates of 83.12 % and 84.45 % for TC and DEP in 120 min. This is attribute to the distinctive tubular configuration of TCN, which enhances the number of reactive sites. The addition of Ag nanoparticles to TCN expands the light absorption spectrum of TCN through the surface plasmon resonance (SPR) effect. Furthermore, the construction of Z-scheme heterojunctions between TCN/Ag and <em>ms</em>-BVO preserves the robust redox capabilities of these components while mitigating the rapid complexation of photogenerated electron pairs. This paper presents a novel strategy and approach for the further construction of heterojunctions, based on the morphological control of carbon nitride.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"212 ","pages":"Article 113543"},"PeriodicalIF":4.9,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146023863","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}

{"title":"Tuning of Jahn-Teller distortions via sterically enforced lattice enlargement of Cu(ta)2-type coordination polymers","authors":"Marcel Hirrle ,&nbsp;Richard Röß-Ohlenroth ,&nbsp;Stephan Reschke ,&nbsp;Björn Bredenkötter ,&nbsp;Hans-Albrecht Krug von Nidda ,&nbsp;Dirk Volkmer","doi":"10.1016/j.jpcs.2026.113566","DOIUrl":"10.1016/j.jpcs.2026.113566","url":null,"abstract":"<div><div>The control of Jahn-Teller distortions in copper-based coordination polymers is crucial for tuning their magnetic and structural properties. Here, we report the synthesis and characterization of two novel Cu(II)-based metal-organic frameworks (MOFs), Cu(mta)₂ and Cu(cta)₂, derived from modified triazole ligands. By introducing steric bulk through methyl and cyclopentyl substituents, we systematically investigate the effect of lattice enlargement on local coordination environments and magnetic behaviour.</div><div>Single-crystal and powder X-ray diffraction analyses reveal that Cu(mta)₂ exhibits static Jahn-Teller distortions similar to those observed in Cu(ta)₂, whereas Cu(cta)₂ crystallizes in an undistorted, near-ideal cubic structure. Magnetic susceptibility and electron spin resonance measurements show strong antiferromagnetic interactions and temperature-dependent g-factor anisotropy for Cu(ta)₂ and Cu(mta)₂, while Cu(cta)₂ displays nearly isotropic magnetic behavior and only dynamically JT distortions without a cooperative phase transition.</div><div>These results demonstrate that steric ligand design offers a powerful strategy to modulate the interplay between lattice structure and magnetic anisotropy. Our findings provide fundamental insights into the suppression of cooperative static Jahn-Teller distortions and open pathways for the targeted design of multifunctional MOFs with tailored structural and magnetic properties.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"212 ","pages":"Article 113566"},"PeriodicalIF":4.9,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146170430","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}

{"title":"Enhanced optoelectronic properties of HfO2/ZnO van der Waals heterostructure: A first-principles study for next-generation applications","authors":"Qingchen Cai ,&nbsp;Zhengbo Zhao ,&nbsp;Fang Wu","doi":"10.1016/j.jpcs.2026.113560","DOIUrl":"10.1016/j.jpcs.2026.113560","url":null,"abstract":"<div><div>Two-dimensional (2D) materials have gained significant attention due to their versatile and precisely tunable physical properties, positioning them as exceptionally promising candidates for next-generation optoelectronic devices. In this study, we systematically investigated the electronic structures of 2D HfO₂ and ZnO using first-principles calculations, and subsequently extended our investigation to the optical properties of 2D HfO₂/ZnO van der Waals heterostructure (vdWH). The results demonstrate that the vdWH exhibit significantly reduced bandgaps and enhanced solar light absorption compared to the individual monolayers. Notably, the HfO₂/ZnO vdWH possesses broader solar absorption range. Furthermore, the HfO₂/ZnO system achieves the highest power conversion efficiency (PCE) of 26 % under applied strain conditions. Under the effects of interlayer coupling, new absorption peaks emerge in the infrared and ultraviolet regions of the HfO₂/ZnO vdWH. It indicates that the HfO₂/ZnO vdWH has promising application for optoelectronic devices.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"212 ","pages":"Article 113560"},"PeriodicalIF":4.9,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146170433","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}

{"title":"Solvothermal synthesis of CoFe2O4@rGO nanocomposite for high-performance supercapacitor applications: Enhanced electrochemical properties through synergistic metal-carbon interactions","authors":"S. Prathap ,&nbsp;S. Sumithanandhi ,&nbsp;S. Pari ,&nbsp;S. Muthupandi ,&nbsp;M. Victor Antony Raj ,&nbsp;Kasinathan Kaviyarasu ,&nbsp;P. Joselene Suzan Jennifer","doi":"10.1016/j.jpcs.2026.113555","DOIUrl":"10.1016/j.jpcs.2026.113555","url":null,"abstract":"<div><div>This study presents the fabrication and analysis of a novel hybrid electrode material comprising cobalt ferrite (CoFe₂O₄) integrated with reduced graphene oxide (rGO) using a glycol-assisted solvothermal methodology. Developing high-performance supercapacitor electrodes with superior energy and power densities remains a major challenge in renewable energy storage. In this work, a <strong>glycol-assisted solvothermal strategy</strong> was employed to synthesize <strong>CoFe₂O₄@rGO nanocomposites,</strong> where diethylene glycol acts as a solvent and capping agent to ensure uniform nanoparticle dispersion and controlled growth. The integration of CoFe₂O₄ nanocrystals with rGO forms a <strong>hierarchical mesoporous network</strong> that enhances electron transport and ion diffusion. Structural and surface analyses confirm the successful formation of the spinel CoFe₂O₄ phase uniformly anchored on rGO with a high surface area of <strong>436 m²</strong> <strong>g⁻¹</strong> and an average crystallite size of <strong>11.4</strong> <strong>nm</strong>. Electrochemical characterisation demonstrates excellent pseudocapacitive behaviour with a <strong>specific capacitance of 713.82 F g⁻¹ at 1 A g⁻¹</strong> and <strong>93.19 % capacitance retention after 5000 cycles</strong>. The enhanced performance arises from the synergistic combination of CoFe₂O₄'s redox activity and rGO's conductivity and structural flexibility, which collectively promote efficient charge transfer and mechanical stability. This facile, scalable synthesis route provides a promising pathway for designing next-generation ferrite–carbon hybrid electrodes for <strong>high-energy supercapacitor applications</strong>. These findings demonstrate that CoFe₂O₄@rGO represents a viable electrode material for advanced supercapacitor applications, offering a practical pathway toward developing adaptable and eco-friendly energy storage systems.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"212 ","pages":"Article 113555"},"PeriodicalIF":4.9,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146170427","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}