Journal of Physics and Chemistry of Solids最新文献_第5页

A newly proposed perovskite MgDH3 (D= Ga, Nb, Zr, W) materials for optoelectronic and hydrogen storage applications: Computational insights 一种新提出的钙钛矿MgDH3 （D= Ga, Nb, Zr， W）材料用于光电和储氢应用：计算见解

IF 4.9 3区材料科学

Journal of Physics and Chemistry of Solids Pub Date : 2025-09-20 DOI: 10.1016/j.jpcs.2025.113226

Abhinav Kumar , Lilia El Amraoui , Kais Ouni

{"title":"A newly proposed perovskite MgDH3 (D= Ga, Nb, Zr, W) materials for optoelectronic and hydrogen storage applications: Computational insights","authors":"Abhinav Kumar , Lilia El Amraoui , Kais Ouni","doi":"10.1016/j.jpcs.2025.113226","DOIUrl":"10.1016/j.jpcs.2025.113226","url":null,"abstract":"<div><div>The potential of perovskite hydride substances in hydrogen (H<sub>2</sub>) storage is a major issue in producing energy, which has drawn a lot of research. The physical and hydrogen (H<sub>2</sub>) storage properties of MgDH<sub>3</sub> (D = Ga, Nb, Zr, W) hydrides are considered in this work using density functional theory (DFT). Based on the results, the cubic nature of MgDH<sub>3</sub> (3.789, 3.728, 3.864, 3.573) Å optimal lattice parameters are found with space group (Pm-3m). The estimation of cohesive energy (C<sub>E</sub>) and formation energy (H<sub>f</sub>) confirms the compound's thermal stability. The computed electronic properties disclose the hydride's metallic condition under research. The Born requirements demonstrated the anisotropic, ductile, brittle (MgWH<sub>3</sub>), and mechanically stable hydrides for the elastic constant (C<sub>ij</sub>). The MgGaH<sub>3</sub>, MgNbH<sub>3</sub>, MgZrH<sub>3</sub>, and MgWH<sub>3</sub> hydrides are found to have an estimated gravimetric hydrogen (GH) storage capacity of 3.115, 2.515, 2.551, and 1.431 wt percent, correspondingly. Calculations are also made for thermodynamic parameters such as minimum thermal conductivity k<sub>min</sub> (K), acoustic velocities (m/s), melting temperature (T<sub>m</sub>), and Debye temperature. It appears from the electronic as well as thermodynamic characteristics that MgDH<sub>3</sub> hydrides conduct both thermal and electrical energy. Calculated findings depict that MgDH<sub>3</sub> perovskite hydride substances are potential candidates for future technological device applications.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"208 ","pages":"Article 113226"},"PeriodicalIF":4.9,"publicationDate":"2025-09-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145109110","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

Strain engineering on the band alignment transition and photocatalytic property in MoS2/MSe (M = In, Ga) heterojunctions MoS2/MSe （M = in, Ga）异质结带取向转变和光催化性能的应变工程研究

IF 4.9 3区材料科学

Journal of Physics and Chemistry of Solids Pub Date : 2025-09-19 DOI: 10.1016/j.jpcs.2025.113216

Caizhi Wu, Yipeng Zhao, Liang Ma, Yicheng Wang, Zhiqiang Li

{"title":"Strain engineering on the band alignment transition and photocatalytic property in MoS2/MSe (M = In, Ga) heterojunctions","authors":"Caizhi Wu, Yipeng Zhao, Liang Ma, Yicheng Wang, Zhiqiang Li","doi":"10.1016/j.jpcs.2025.113216","DOIUrl":"10.1016/j.jpcs.2025.113216","url":null,"abstract":"<div><div>Two-dimensional van der Waals heterojunctions are seen as a powerful strategy to tune the electronic properties and enhance their performance in devices. In this study, we have systematically investigated the electronic properties and energy band alignments of MoS<sub>2</sub>/MSe (M = In, Ga) heterojunctions using first-principles calculations. The MoS<sub>2</sub>/InSe heterojunction exhibits a type-I band alignment, whereas the MoS<sub>2</sub>/GaSe heterojunction presents a type-II band characteristic. Furthermore, the MoS<sub>2</sub>/InSe heterojunction achieves a transition from type-I to type-II energy band alignment in the strain range of −3 % to −4 % biaxial strain. In contrast, the MoS<sub>2</sub>/GaSe heterojunction consistently maintains the type-II energy band alignment. In addition, the tensile strain effectively enhanced the optical absorption of MoS<sub>2</sub>/GaSe in the visible spectral interval, and a red-shift/blue-shift of the absorption peaks with increasing tensile/compressive strains was observed. The MoS<sub>2</sub>/InSe heterojunction at −3 % and the MoS<sub>2</sub>/GaSe heterojunction at −2 % to −1 % strain intervals exhibited suitable band gaps with strong photocatalytic capabilities. These results demonstrate that the MoS<sub>2</sub>/MSe heterojunctions are expected to significantly improve the photocatalytic efficiency, suggesting the promising application prospect of MoS<sub>2</sub>/MSe heterojunctions in photocatalytic technology.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"208 ","pages":"Article 113216"},"PeriodicalIF":4.9,"publicationDate":"2025-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145109112","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

Enhanced photophysical attributes and fast switching dynamics in xanthene dye-blended nematic liquid crystal systems: A molecular level investigation 杂蒽染料-向列相液晶系统中增强的光物理特性和快速开关动力学：分子水平的研究

IF 4.9 3区材料科学

Journal of Physics and Chemistry of Solids Pub Date : 2025-09-19 DOI: 10.1016/j.jpcs.2025.113215

Sonam Sharma, Pankhuri Srivastava, Saransh Saxena, Suraj Joshi, Sadhna Tiwari, Shikha Agarwal, Rajiv Manohar

{"title":"Enhanced photophysical attributes and fast switching dynamics in xanthene dye-blended nematic liquid crystal systems: A molecular level investigation","authors":"Sonam Sharma, Pankhuri Srivastava, Saransh Saxena, Suraj Joshi, Sadhna Tiwari, Shikha Agarwal, Rajiv Manohar","doi":"10.1016/j.jpcs.2025.113215","DOIUrl":"10.1016/j.jpcs.2025.113215","url":null,"abstract":"<div><div>Incorporating fluorescent dyes into liquid crystal matrices has yielded groundbreaking advancements, preserving the exceptional properties of the mesogenic host materials, provided the dye-LC molecular compatibility is ensured. Thus, this study focuses on developing a novel stable and compatible dye-blended system through optimal dispersion of fluorescent dye in liquid crystal. Focusing on xanthene-family dye in nematic liquid crystal, we understand the molecular-level phenomena and interactions crucial for designing novel applications. Homogenously aligned cells were filled up to a concentration of 0.1 wt % of Rhodamine B dye in E7 LC to minimize the impact of dye-dye interactions, thereby facilitating a more accurate assessment of the dye's interaction with the surrounding medium. A comprehensive experimental framework was employed, including dielectric spectroscopy, thermal analysis, optical characterization and electro-optical measurements. The photophysical attributes of the system exhibit a substantial enhancement, characterized by a significant of 42.90 % increase in emission intensity and a remarkable 53.44 % reduction in fall time for dye-blended LC cells compared to pristine LC cells, enabling faster optical switching. This work provides vital insights into the synergy between dye and LC molecules, essential for optimizing performance in advanced fluorescent probes, efficient random lasers, faster optical switches and other next generation devices.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"208 ","pages":"Article 113215"},"PeriodicalIF":4.9,"publicationDate":"2025-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145117565","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

Revealing the electronic properties of 2D inorganic biphenylene via atomic doping: Insights from first-principles calculations 通过原子掺杂揭示二维无机联苯的电子性质：来自第一性原理计算的见解

IF 4.9 3区材料科学

Journal of Physics and Chemistry of Solids Pub Date : 2025-09-18 DOI: 10.1016/j.jpcs.2025.113213

Hongwei Bo, Jiyuan Guo, Fengjie Tao, Lanqing Chen

{"title":"Revealing the electronic properties of 2D inorganic biphenylene via atomic doping: Insights from first-principles calculations","authors":"Hongwei Bo, Jiyuan Guo, Fengjie Tao, Lanqing Chen","doi":"10.1016/j.jpcs.2025.113213","DOIUrl":"10.1016/j.jpcs.2025.113213","url":null,"abstract":"<div><div>2D biphenylene has attracted much attention for its unique structure and remarkable properties, with potential uses in various fields. This paper utilizes first-principles calculations to explore the intrinsic properties of 2D inorganic biphenylene (I-BPN) and assess the impact of atomic doping on its electronic properties, with a focus on structure, thermodynamic stability, band structures, density of states, and differential charge density. Results indicate that I-BPN exhibits inherently exceptional structural and thermodynamic stability. Notably, single-atom substitutional doping with Li, C, O, Al, and S elements results in stable structures, all having binding energies below −6.24 eV/atom, and these structures remain stable at 350 K. Al doping maintains the semiconductor characteristics of I-BPN, whereas other dopant elements induce metallic behavior. Double-atom substitutional doping configurations, including Al–C co-doped B, Li–C co-doped B, O–C co-doped N, <em>S</em>–C co-doped N, Al-doped B/C-doped N, Li-doped B/C-doped N, Li-doped B/O-doped N, and O-doped N/S-doped B, exhibit stable structures with binding energies below −5.87 eV/atom and remain stable at 350 K. Specifically, except for the O–C co-doped N structure which exhibits semiconductor characteristics, all other structures display metallic properties. Our findings indicate a potential pathway for experimentally achieving interesting electronic properties in 2D I-BPN for optoelectronic device applications.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"208 ","pages":"Article 113213"},"PeriodicalIF":4.9,"publicationDate":"2025-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145104207","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

Enhanced redox activity in microwave-synthesized Ce–Co LDH electrodes for solid state supercapacitor devices 微波合成Ce-Co - LDH固体超级电容器电极的氧化还原活性增强

IF 4.9 3区材料科学

Journal of Physics and Chemistry of Solids Pub Date : 2025-09-18 DOI: 10.1016/j.jpcs.2025.113208

P.E. Lokhande , Dadaso D. Mohite , Udayabhaskar Rednam , Reshma S. Ballal , Bandar Ali Al-Asbahi , Aziz A. Aziz

{"title":"Enhanced redox activity in microwave-synthesized Ce–Co LDH electrodes for solid state supercapacitor devices","authors":"P.E. Lokhande , Dadaso D. Mohite , Udayabhaskar Rednam , Reshma S. Ballal , Bandar Ali Al-Asbahi , Aziz A. Aziz","doi":"10.1016/j.jpcs.2025.113208","DOIUrl":"10.1016/j.jpcs.2025.113208","url":null,"abstract":"<div><div>A novel layered double hydroxide (LDH) electrode material composed of cerium hydroxide (Ce(OH)<sub>3</sub>) and cobalt hydroxide (Co(OH)<sub>2</sub>) was developed to address the low energy density problem of conventional supercapacitor electrodes. The LDH was synthesized <em>via</em> a microwave-assisted co-precipitation technique, offering a rapid and eco-friendly route. Structural, morphological, and surface analyses confirmed the formation of well-defined nanosheet-like interconnected structures with favorable characteristics. Notably, the material exhibited a high specific surface area of 155.8 m<sup>2</sup> g<sup>−1</sup>, conducive to enhanced electrochemical performance. X-ray photoelectron spectroscopy depicted the coexistence of Ce<sup>3+</sup>/Ce<sup>4+</sup> and Co<sup>2+</sup>/Co<sup>3+</sup> oxidation states, signifying a high density of electroactive sites. Electrochemical characterization in a three-electrode setup revealed a remarkable specific capacity of 688 C g<sup>−1</sup> at 1 A g<sup>−1</sup>, compared to the pristine Ce(OH)<sub>3</sub> (445 C g<sup>−1</sup>). A symmetric supercapacitor was assembled using the composite electrodes, delivering an energy density of 35 Wh kg<sup>−1</sup> and a power density of 2250 W kg<sup>−1</sup> along with excellent cyclic stability. The composite also demonstrated superior rate capability and long-term cycling stability, retaining 96 % of its capacitance after 10,000 charge–discharge cycles. The device maintained robust performance at elevated current densities and successfully powered a commercial LED for over 100 s, underscoring its practical applicability.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"208 ","pages":"Article 113208"},"PeriodicalIF":4.9,"publicationDate":"2025-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145117567","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

N-doped graphene integrated mixed phase Mo-NiCo2O4/CoMoO4 mariegold nanoflowers as positive electrode for high 2 V hybrid supercapacitors n掺杂石墨烯集成混合相Mo-NiCo2O4/CoMoO4婚金纳米花作为高2v杂化超级电容器的正极

IF 4.9 3区材料科学

Journal of Physics and Chemistry of Solids Pub Date : 2025-09-18 DOI: 10.1016/j.jpcs.2025.113214

Kaveri Ajravat, O.P. Pandey, Loveleen K. Brar

{"title":"N-doped graphene integrated mixed phase Mo-NiCo2O4/CoMoO4 mariegold nanoflowers as positive electrode for high 2 V hybrid supercapacitors","authors":"Kaveri Ajravat, O.P. Pandey, Loveleen K. Brar","doi":"10.1016/j.jpcs.2025.113214","DOIUrl":"10.1016/j.jpcs.2025.113214","url":null,"abstract":"<div><div>The quest for high-performance supercapacitor materials with extended potential windows and superior energy storage capabilities has driven the exploration of ternary transition metal oxide nanostructures. In this work, a novel mixed-phase Mo-NiCo<sub>2</sub>O<sub>4</sub>/CoMoO<sub>4</sub> composite anchored on nitrogen-doped graphene (NG) sheets was synthesized via a one-step hydrothermal approach. The NG sheets act as active substrates that not only facilitate the intimate growth of Mo, Ni and Co on nucleation sites but also influence the growth kinetics, leading to the formation of intricate marigold-like nanoflowers assembled from wavy lamellar nanosheets consisting of Mo-NiCo<sub>2</sub>O<sub>4</sub>/CoMoO<sub>4</sub>. The unique heterojunctioned structures result in a mesoporous MoNiCoNG120 composite with high surface area and dense electroactive sites, achieving a remarkable specific capacitance of 280.40 Fg<sup>-1</sup> at 0.30 Ag<sup>-1</sup>. To evaluate its device-level performance, symmetric (MoNiCoNG//MoNiCoNG) and asymmetric (MoNiCoNG//NG and MoNiCoNG//AC) supercapacitors were assembled. The <strong>MoNiCoNG//NG asymmetric device</strong> exhibited a high <strong>energy density</strong> of <strong>51.28 Whkg<sup>−1</sup></strong> and <strong>power density</strong> of <strong>96.40 W kg<sup>−1</sup></strong> at 0.08 A g<strong><sup>−1</sup></strong> retaining <strong>∼80 % capacitance retention</strong> after 5000 charge-discharge cycles. The device successfully powered a 14-LED circuit for over 3 min using the cells assembled in series combination. These results highlight the potential of the MoNiCoNG composite as a next-generation electrode material for high-energy supercapacitors.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"208 ","pages":"Article 113214"},"PeriodicalIF":4.9,"publicationDate":"2025-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145104210","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

Tailoring shape of CeO2 nanoparticles by swift heavy ion irradiation 快速重离子辐照对CeO2纳米颗粒形状的裁剪

IF 4.9 3区材料科学

Journal of Physics and Chemistry of Solids Pub Date : 2025-09-17 DOI: 10.1016/j.jpcs.2025.113206

R.A. Rymzhanov , A. Mutali , J.H. O'Connell , V.A. Skuratov

引用次数: 0

Halogen ligand-enhanced single atom catalysts for superior HER performance in Pd-anchored MoS2 monolayer 卤素配体增强单原子催化剂在pd锚定二硫化钼单层中具有优异的HER性能

IF 4.9 3区材料科学

Journal of Physics and Chemistry of Solids Pub Date : 2025-09-16 DOI: 10.1016/j.jpcs.2025.113209

Feng Sun, Xuqiang Zhang, Jiangtao Chen, Yun Zhao, Yan Li

{"title":"Halogen ligand-enhanced single atom catalysts for superior HER performance in Pd-anchored MoS2 monolayer","authors":"Feng Sun, Xuqiang Zhang, Jiangtao Chen, Yun Zhao, Yan Li","doi":"10.1016/j.jpcs.2025.113209","DOIUrl":"10.1016/j.jpcs.2025.113209","url":null,"abstract":"<div><div>Single-atom catalysts (SACs) have attracted ever-growing interest due to their high atom-utilization efficiency and potential for cost-effective of hydrogen production. However, key challenges still remain in developing high-performance SACs for hydrogen evolution reaction (HER) technology. Herein, innovatively, the effects of surface ligands (F, Cl, Br, I) on the HER performance and mechanism of single-atom (Pd or Cu)-anchored MoS<sub>2</sub> monolayer are detailly investigated using first-principles calculation. The results indicate that the relative Gibbs free energy for the adsorbed hydrogen atom in the I–Pd@MoS<sub>2</sub> system is an exceptionally low value of −0.13 eV, which is not only comparable to that of Pt-based catalysts but also significantly more favorable than the calculated 0.84 eV for Pd@MoS<sub>2</sub>. The ligand restructures the local chemical environment around SAC Pd, creating impurity bands near the Fermi level that couple with H atom s states, thus yielding numerous highly-active sites to enhance catalytic performance. Comparatively, the ligands around SAC Cu cause impurity bands far below the Fermi level, which are raised to Fermi energy in H-absorbed systems. The molecular dynamics results exhibit X–Pd@MoS<sub>2</sub> are more thermally stable than X–Cu@MoS<sub>2</sub> at room temperature, and the impurity bands near the Fermi level in the pure electrocatalysts rather than in the systems after hydrogen adsorption, enhance the activity and stability. Furthermore, the climbing-image nudged elastic band method (CI-NEB) elucidates that the enhanced HER mechanism for the I–Pd@MoS<sub>2</sub> catalyst should belong to the coexistence of the Volmer-Tafel and Volmer-Heyrovsky reactions. This investigation provides a valuable framework for experimental design and development of innovative single-atom catalysts.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"208 ","pages":"Article 113209"},"PeriodicalIF":4.9,"publicationDate":"2025-09-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145104294","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

Unveiling the synergistic effect of Cl− doping to promote formaldehyde oxidation performance of Ag for anodic hydrogen production 揭示了Cl−掺杂促进银阳极制氢甲醛氧化性能的协同效应

IF 4.9 3区材料科学

Journal of Physics and Chemistry of Solids Pub Date : 2025-09-16 DOI: 10.1016/j.jpcs.2025.113207

Chongchong Wang , Linlin Pan , Haitao Shi, Rui Zhang, Weixin Lv, Wei Wang

{"title":"Unveiling the synergistic effect of Cl− doping to promote formaldehyde oxidation performance of Ag for anodic hydrogen production","authors":"Chongchong Wang , Linlin Pan , Haitao Shi, Rui Zhang, Weixin Lv, Wei Wang","doi":"10.1016/j.jpcs.2025.113207","DOIUrl":"10.1016/j.jpcs.2025.113207","url":null,"abstract":"<div><div>Formaldehyde oxidation reaction (FOR) at low potential (−0.22 V <em>vs.</em> RHE) offers a promising alternative, simultaneously producing valuable formate and H<sub>2</sub>. However, Ag-based catalysts exhibit limited FOR activity, and the low-potential pathway typically follows a kinetically constrained 1 e<sup>−</sup> transfer mechanism with inherent selectivity challenges. This study introduces chloride anion-doped Ag catalysts (Cl<sup>−</sup>/Ag) as a novel electrocatalytic system that substantially enhances low-potential FOR performance while actively modulating the oxidation pathway. Innovatively, Cl<sup>−</sup> doping achieves triple synergistic effects: (i) reducing the activation energy barrier for C–H bond cleavage to accelerate FOR kinetics, (ii) optimizing Ag's electronic structure through electron withdrawal to facilitate intermediate adsorption, and (iii) strengthening adsorbed hydrogen (*H) binding to promote the Volmer oxidation step, thereby shifting the reaction pathway. Crucially, this anion-mediated structural control demonstrates that low-potential HCHO oxidation is not restricted to the 1 e<sup>−</sup> route. The Cl<sup>−</sup>/Ag catalyst design represents a simple yet effective strategy to overcome activity limitations in Ag-based systems and provides new mechanistic insights for engineering energy-efficient electrocatalysts that couple selective chemical synthesis with sustainable H<sub>2</sub> production.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"208 ","pages":"Article 113207"},"PeriodicalIF":4.9,"publicationDate":"2025-09-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145104292","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

Impact of interfacial coupling on the structural, magnetic, and dielectric properties of CoFe2O4/NiO nanocomposites 界面耦合对CoFe2O4/NiO纳米复合材料结构、磁性和介电性能的影响

IF 4.9 3区材料科学

Journal of Physics and Chemistry of Solids Pub Date : 2025-09-16 DOI: 10.1016/j.jpcs.2025.113195

R.A.O. Pinto , J.C.R. Araújo , R.B. Silva , A.L.R. Souza , A. Ferreira , Y. Abbas , P.C. Albuquerque , J. Xavier , C.A.M. Iglesias , J.M. Soares , M.V.S. da Silva , M.A. Morales , M.A. Correa , E.F. Silva , F. Bohn

{"title":"Impact of interfacial coupling on the structural, magnetic, and dielectric properties of CoFe2O4/NiO nanocomposites","authors":"R.A.O. Pinto , J.C.R. Araújo , R.B. Silva , A.L.R. Souza , A. Ferreira , Y. Abbas , P.C. Albuquerque , J. Xavier , C.A.M. Iglesias , J.M. Soares , M.V.S. da Silva , M.A. Morales , M.A. Correa , E.F. Silva , F. Bohn","doi":"10.1016/j.jpcs.2025.113195","DOIUrl":"10.1016/j.jpcs.2025.113195","url":null,"abstract":"<div><div>We report the synthesis and comprehensive characterization of CoFe<span><math><msub><mrow></mrow><mrow><mtext>2</mtext></mrow></msub></math></span>O<span><math><msub><mrow></mrow><mrow><mtext>4</mtext></mrow></msub></math></span>/NiO nanocomposites prepared via a modified co-precipitation method followed by thermal treatment. Structural and morphological analyses confirm the coexistence of pure CoFe<span><math><msub><mrow></mrow><mrow><mtext>2</mtext></mrow></msub></math></span>O<span><math><msub><mrow></mrow><mrow><mtext>4</mtext></mrow></msub></math></span> and NiO phases with well-defined interfaces. Mössbauer spectroscopy indicates a partially inverted spinel structure. Magnetic measurements revealed particle-size-dependent magnetic ordering, and a transition from single- to multi-domain behavior with increasing particle size, and strong interfacial effects, including exchange bias and wasp-waisted hysteresis loops, as evidenced by <span><math><mrow><mi>Δ</mi><mi>H</mi></mrow></math></span> <em>vs.</em> <span><math><mi>M</mi></math></span> plots. AC susceptibility shows frequency-dependent peaks in the imaginary component, with Vogel–Fulcher analysis suggesting cluster-glass-like behavior due to strong interphase interactions. Dielectric measurements demonstrate a marked enhancement of the dielectric constant in the composites, attributed to interfacial polarization at the CoFe<span><math><msub><mrow></mrow><mrow><mtext>2</mtext></mrow></msub></math></span>O<span><math><msub><mrow></mrow><mrow><mtext>4</mtext></mrow></msub></math></span>/NiO boundary. These findings highlight the critical role of interfacial coupling in tailoring the multifunctional properties of oxide-based nanocomposites.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"208 ","pages":"Article 113195"},"PeriodicalIF":4.9,"publicationDate":"2025-09-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145109680","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