Journal of Physics and Chemistry of Solids最新文献

{"title":"First-principles insight of CaXH5 (X = Al, Ga, B) hydrides for possible potentials in UV-harvesting and hydrogen storage applications","authors":"Imtiaz Ahmad Khan ,&nbsp;Ali Yaqoob ,&nbsp;Nawishta Jabeen ,&nbsp;Ahmad Hussain ,&nbsp;Aseel Smerat ,&nbsp;Hamdy Khamees Thabet","doi":"10.1016/j.jpcs.2025.113421","DOIUrl":"10.1016/j.jpcs.2025.113421","url":null,"abstract":"<div><div>This study explores monoclinic CaXH₅ (X = Al, Ga, B) hydrides using first principles method to evaluate their potentials in hydrogen storage and UV-absorber based on their structural, opto-electronic, thermodynamics, mechanical and hydrogen storage gravimetric ratios. All hydrides have turned out to be wide band gap semiconductors in nature with values 4.053 eV (CaAlH₅), 4.051 eV (CaGaH₅), and 4.012 eV (CaBH₅). Such band gap values of hydrides are responsible for showing high optical absorption (α(ω) &gt; 10⁵ cm⁻¹), dielectric function (5–7), and optical conductivity (3–5 fs⁻¹) in the UV region of incident radiations making them ideal for UV-harvesting application like a tandem cell component. These hydrides are dynamically stable with zero-point energy values (2.10–2.45 eV) suggesting strong interatomic interactions and thermal stability. Moreover, mechanically ductile and anisotropic behaviors have been found in these materials. Strong gravimetric hydrogen storage ratios are delivered by CaBH₅ (9.01 %), CaAlH₅ (6.9 %) and CaGaH₅ (4.3 %), with two hydrides (CaAlH₅ and CaBH₅) are exceeding the US DOE target (5.5 %), making them efficient to be utilized in practical hydrogen energy storage applications. The corresponding hydrogen storage capacities are 31 kJ/mol H₂ for CaAlH₅, 33 kJ/mol H₂ for CaGaH₅, and 26 kJ/mol H₂ for CaBH₅ indicating hydrogenation/dehydrogenation at ambient conditions. Such outcomes provide comprehensive understanding of CaXH₅ hydrides as promising candidates for UV-harvesting and hydrogen storage applications.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"211 ","pages":"Article 113421"},"PeriodicalIF":4.9,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145683249","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":"High–performance capacitive humidity sensors based on (Sb5+/In3+) co–doped TiO2 ceramics with low hysteresis and rapid recovery","authors":"Unchista Wongpratat ,&nbsp;Nutthakritta Phromviyo ,&nbsp;Narong Chanlek ,&nbsp;Tossaporn Lertvanithphol ,&nbsp;Mati Horprathum ,&nbsp;Atchara Khamkongkaeo ,&nbsp;Prasit Thongbai","doi":"10.1016/j.jpcs.2025.113415","DOIUrl":"10.1016/j.jpcs.2025.113415","url":null,"abstract":"<div><div>In this study, (Sb⁵⁺/In³⁺)_<em>x</em>Ti_1-<em>x</em>O₂ ceramics (<em>x</em> = 2.5–10 %) were developed to evaluate their potential for capacitive humidity sensing applications. All compositions exhibited a single–phase rutile TiO₂ structure with expanded lattice parameters due to substitution of Ti⁴⁺ by larger In³⁺ ions. The ceramics showed dense microstructures with high relative densities (93.5–98.9 %) and homogeneous dispersion of dopants. Increasing dopant concentrations promoted the formation of Ti³⁺ species and oxygen vacancies, which contributed to improved dielectric and sensing performance. The optimized composition, (Sb⁵⁺/In³⁺)_0.05Ti_0.95O₂, exhibited a high dielectric permittivity (&gt;10³) and low dielectric loss (∼0.01 at 1 kHz). Under 30–90 % RH, this sample achieved a capacitance variation of ∼564 %, a low maximum hysteresis error (γ_H∼1.2 %), and excellent repeatability across multiple humidity cycles. It exhibited a practical 63 % response within ∼0.7 min and a rapid recovery of ∼0.4 min, which are considerably faster than those of conventional bulk giant–dielectric ceramics. Notably, the sensor maintained stable operation across 20–40 °C with minimal γ_H of 1.2–1.4 % and good linearity (nonlinearity &lt;0.1 %). In particular, the (Sb⁵⁺/In³⁺)_0.05Ti_0.95O₂ showed high linearity (R² = 0.985) in the 50–90 % RH range, making it well–suited for agricultural and greenhouse humidity monitoring. These findings highlight the promise of chemically stable TiO₂–based ceramics as high–performance capacitive humidity sensors for practical environmental applications.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"211 ","pages":"Article 113415"},"PeriodicalIF":4.9,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145683244","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":"Synergistic effect of nitrogen and oxygen self-doping in bio-waste derived activated carbon for supercapacitor applications","authors":"Kirti Sharma ,&nbsp;Sonia Grover ,&nbsp;Pooja Kadyan ,&nbsp;Sakshi Sharma ,&nbsp;Naveen Kumar ,&nbsp;Raj Kishore Sharma","doi":"10.1016/j.jpcs.2025.113471","DOIUrl":"10.1016/j.jpcs.2025.113471","url":null,"abstract":"<div><div>As the demand for sustainable energy solutions grows, the development of eco-friendly, high-performance electrode materials is crucial for advancing supercapacitor technologies. Bio-waste derived carbon-based materials have gained significant interest due to their abundance, low cost, and environmental benefits. In this study, nitrogen and oxygen self-doped activated carbon, obtained from wood apple shells, was synthesized and systematically prepared for supercapacitor applications. The carbonization and activation processes are carried out using potassium hydroxide in a nitrogen atmosphere at 800 °C, resulting in activated carbon with an exceptionally high specific surface area of 1351.93m²g^-1. The structural analysis conducted through Raman spectroscopy identified structural defects that enhance electrical conductivity, whereas Fourier-transform infrared spectroscopy (FTIR) validated the presence of hydroxyl, carboxyl, and ketonic groups that facilitate faradaic reactions. X-ray photoelectron spectroscopy (XPS) further elucidated the effective self-doping with nitrogen and oxygen, which produced a synergistic effect, significantly enhancing the charge storage capabilities. Scanning electron microscopy (SEM) highlighted a highly porous structure, favorable for efficient ion exchange and rapid electrochemical kinetics. Electrochemical evaluations in a three-electrode system demonstrated specific capacitances of 483.1 F g⁻¹ in 6 M KOH and 218.1 F g⁻¹ in 1 M Na₂SO₄ at 3 A g⁻¹, underscoring the material's robust performance in both electrolytes. Moreover, a symmetric supercapacitor employing this material retains 83 % of capacitance retention following 5000 cycles, showcasing remarkable practical relevance. These findings highlight the potential of wood apple shell-derived activated carbon as a sustainable, high-performance material for next-generation energy storage systems.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"211 ","pages":"Article 113471"},"PeriodicalIF":4.9,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145836892","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":"Investigation into enhanced electrochemical hydrogen storage performance of Co0.9Cu0.1Si alloy via cobalt–nitrogen co-doped reduced graphene oxide coating","authors":"Jianxun Zhao ,&nbsp;Wenhao Fan ,&nbsp;Wanqiang Liu ,&nbsp;Qingcheng Liang ,&nbsp;Peng Chen ,&nbsp;Yong Cheng","doi":"10.1016/j.jpcs.2025.113459","DOIUrl":"10.1016/j.jpcs.2025.113459","url":null,"abstract":"<div><div>Co_0.9Cu_0.1Si alloy was synthesized by mechanical alloying. Nitrogen-doped reduced graphene oxide (N-rGO), cobalt-doped reduced graphene oxide (Co-rGO), and cobalt-nitrogen co-doped reduced graphene oxide (Co–N-rGO) were successfully synthesized via a hydrothermal method and subsequently coated with alloy nanoparticles, to enhance the electrochemical hydrogen storage capabilities of composite materials. In comparison to the pristine alloy, the composite material exhibits superior discharge specific capacity, cycling stability, and kinetic performance. The Co–N@rGO coated sample demonstrates superior electrochemical performance compared to all other coated rGO composites. The results indicate that the optimal addition ratio of Co–N@rGO is 5 wt%. At this ratio, the battery achieves a maximum discharge capacity of 603.3 mAh/g. After 50 cycles, the capacity retention rate is 64.6 % of the initial maximum discharge capacity. The significant enhancement in the electrochemical energy storage performance of the composite materials can be primarily attributed to the synergistic effects of nitrogen doping, cobalt doping, and the intrinsic properties of reduced graphene oxide (rGO). rGO enhanced the electrical conductivity of the composite material, thereby improving the efficiency of charge transfer during electrochemical reactions. Nitrogen doping improved the wettability of the rGO surface with the electrolyte and generated numerous active sites for hydrogen adsorption, significantly enhancing the electrocatalytic performance of rGO. Cobalt deposition on rGO further increased the electrical conductivity of the composite, promoted hydrogen atom adsorption, and accelerated hydrogen diffusion. The integration of rGO with nitrogen doping and cobalt incorporation demonstrated a strong synergistic effect, significantly further enhancing the kinetic characteristics of the electrochemical reactions.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"211 ","pages":"Article 113459"},"PeriodicalIF":4.9,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145836948","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":"Insight of Al atomic segregation behavior on the mechanical properties and deformation mechanism of NiCrAl nanocrystalline alloys","authors":"Kexin Zhang,&nbsp;Yajun Chang,&nbsp;Junqiang Ren,&nbsp;Xin Guo,&nbsp;Xingchang Tang,&nbsp;Xuefeng Lu","doi":"10.1016/j.jpcs.2025.113483","DOIUrl":"10.1016/j.jpcs.2025.113483","url":null,"abstract":"<div><div>The segregation behavior of elements at different positions in nanocrystalline alloys has an important effect on the mechanical properties. In the present contribution, the effects of segregation structure on the properties and deformation mechanism of nanocrystalline NiCrAl alloys with six different segregation structures are investigated by molecular dynamics. The results show that when Al atoms are completely segregated inside the grain, the stability of grain boundaries is poor, which cannot hinder dislocation movement and weakens the mechanical performance of nanocrystals. Similarly, when Al atoms are completely segregated at the grain boundary, the grain boundaries become noticeably thicker, the nucleation of dislocations is suppressed, and the strength of nanocrystals also decreases. It is worth noting that when 4 % of Al atoms are segregated to the grain boundaries, the grain boundaries become slightly thicker and more stable. This is due to the fact that the stable grain boundaries can maintain a fixed structure, pin the movement of dislocations and then increase the resistance to dislocation slip during tensile deformation. Meanwhile, the interaction between the grain boundary and deformation twins further strengthens the mechanical properties. These two effects work together to improve the tensile properties. By gaining insights into the solute element segregation behavior, the theoretical basis is provided for the strengthening mechanism under grain boundary segregation. This opens up a way to design and develop NiCrAl nanocrystals.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"211 ","pages":"Article 113483"},"PeriodicalIF":4.9,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145836947","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 magnetic and magnetothermal properties of Co–Ni ferrite nanoparticles","authors":"E.F. Silva ,&nbsp;J.C.R. Araújo ,&nbsp;M.A.S. Lima ,&nbsp;R.A. Pinto ,&nbsp;M.A. Morales ,&nbsp;F. Bohn","doi":"10.1016/j.jpcs.2025.113480","DOIUrl":"10.1016/j.jpcs.2025.113480","url":null,"abstract":"<div><div>We investigate the structural, magnetic, and magnetothermal properties of Co<span><math><msub><mrow></mrow><mrow><mrow><mo>(</mo><mn>1</mn><mo>−</mo><mi>x</mi><mo>)</mo></mrow></mrow></msub></math></span>Ni<span><math><msub><mrow></mrow><mrow><mi>x</mi></mrow></msub></math></span>Fe<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>O<span><math><msub><mrow></mrow><mrow><mn>4</mn></mrow></msub></math></span> nanoparticles (<span><math><mrow><mi>x</mi><mo>=</mo><mn>0</mn><mo>.</mo><mn>0</mn><mo>−</mo><mn>1</mn><mo>.</mo><mn>0</mn></mrow></math></span>) synthesized by a sol–gel route followed by heat treatment. X-ray diffraction confirms phase-pure cubic spinel structures with crystallite sizes of <span><math><mo>∼</mo></math></span> <span><math><mrow><mn>32</mn><mo>−</mo><mn>56</mn></mrow></math></span> nm, while Mössbauer spectroscopy reveals a systematic evolution of cation distribution from partially inverse (CoFe<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>O<span><math><msub><mrow></mrow><mrow><mn>4</mn></mrow></msub></math></span>) to fully inverse (NiFe<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>O<span><math><msub><mrow></mrow><mrow><mn>4</mn></mrow></msub></math></span>). This redistribution governs the magnetic behavior, leading to a monotonic decrease in coercivity (from 10.40 to 0.32 kOe) and effective anisotropy (from <span><math><mrow><mn>46</mn><mo>.</mo><mn>5</mn><mo>×</mo><mn>1</mn><msup><mrow><mn>0</mn></mrow><mrow><mn>6</mn></mrow></msup></mrow></math></span> to <span><math><mrow><mn>19</mn><mo>.</mo><mn>2</mn><mo>×</mo><mn>1</mn><msup><mrow><mn>0</mn></mrow><mrow><mn>6</mn></mrow></msup></mrow></math></span> erg/cm<span><math><msup><mrow></mrow><mrow><mn>3</mn></mrow></msup></math></span>) with increasing Ni content. All samples remain magnetically blocked at room temperature. Magnetic hyperthermia measurements, analyzed from a perspective of a non-adiabatic and radiating process, show enhanced heating efficiency toward Ni-rich compositions, with NiFe<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>O<span><math><msub><mrow></mrow><mrow><mn>4</mn></mrow></msub></math></span> exhibiting the highest SLP values. Overall, the study clarifies the direct link between composition-driven cation redistribution, magnetic properties, and hyperthermia performance, establishing Ni-for-Co substitution as an effective strategy to tune the functional response of spinel ferrites.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"211 ","pages":"Article 113480"},"PeriodicalIF":4.9,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145837018","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":"A Bifunctional ZrS2/SrTiO3@NCNT nanocomposite for advanced supercapattery and ultrasensitive electrochemical detection","authors":"Hasan B. Albargi ,&nbsp;Summaira khan ,&nbsp;Mohammed E. Abaker ,&nbsp;M.W. Iqbal ,&nbsp;Manoj Kumar ,&nbsp;Muhammad Arslan Sunny ,&nbsp;Muhammad Ashraf ,&nbsp;Abhinav Kumar ,&nbsp;Tasawar Ali ,&nbsp;Ankit Dilipkumar Oza","doi":"10.1016/j.jpcs.2025.113500","DOIUrl":"10.1016/j.jpcs.2025.113500","url":null,"abstract":"<div><div>To enhance the electrolytic stability, zirconium disulfide (ZrS₂) and strontium titanate (SrTiO₃) nanoparticles were incorporated into nitrogen-doped carbon nanotubes (NCNT), resulting in a novel ZrS₂/SrTiO₃@NCNT. Surface and structural analysis, along with electrolytic measurements, confirmed strong synergistic interactions. These interactions increased the ZrS₂/SrTiO₃@NCNT crystallinity and charge storage performances. Electroclytic performances were analytically calculated in a 3 M KOH electrolyte using cyclic voltammetry (CV), electrochemical impedance spectroscopy (EIS), and galvanostatic charge-discharge (GCD). The ZrS₂/SrTiO₃@NCNT//AC electrode revealed a specific capacity Qs of 285 C/g at a current density of 1 A/g. The combined material retained 84.9 % of its capacity retention over 10000 charge-discharge cycles at 1 A/g, signifying superior cycling stability. Moreover, it reveals a higher energy density (E_d) of 77.5 Wh/kg and a power density (P_d) of 1280 W/kg. Such outcomes foreground the potential of ZrS₂/SrTiO₃@NCNT heterostructure as a next-generation electrode material, providing a scalable and cost-effective pathway for the formation of multi-component systems and high-performance in advanced electrochemical energy storage technologies.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"211 ","pages":"Article 113500"},"PeriodicalIF":4.9,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145837016","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":"Ultrasonic-assisted fabrication of transient photocurrent-enhanced MOF@Fe3O4–TiO2 composites for visible-light-driven formaldehyde degradation","authors":"Meng Cheng,&nbsp;Mengyao Hua,&nbsp;Siyi Wang,&nbsp;Yuhang Duan,&nbsp;Lei Xu,&nbsp;Yafen Zhou","doi":"10.1016/j.jpcs.2025.113406","DOIUrl":"10.1016/j.jpcs.2025.113406","url":null,"abstract":"<div><div>TiO₂ and its composites have drawn extensive focus from researchers on account of their ability to convert formaldehyde into harmless H₂O and CO₂ under light irradiation at room temperature, along with their low toxicity, simple operation, low cost and reusability. In this study, a MOF@Fe₃O₄–TiO₂ photocatalyst with synergistic degradation effects was synthesized via ultrasonic-assisted impregnation method and comprehensively characterized. Results show that this composite can efficiently remove formaldehyde through its self-established adsorption-degradation-reabsorption cycle (85.50 % within 5.5 h; 92.60 % within 24 h). Moreover, it exhibits enhanced transient photocurrent, which not only facilitates the segregation of electrons and holes across Fe₃O₄–TiO₂ heterostructure but also promotes generation and transport of photogenerated electrons between the Fe₃O₄–TiO₂ heterojunction and MOF, endowing the catalyst with excellent conductivity and full-spectrum-driven photocatalytic activity. Additionally, EPR and stability tests reveal that the composite decomposes formaldehyde to carbon dioxide and water through formation of two reactive oxygen species (•O₂⁻ and •OH) and demonstrates good stability.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"211 ","pages":"Article 113406"},"PeriodicalIF":4.9,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145623095","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":"Textile-integrated hydrothermally grown bimetallic nickel–cobalt metal organic frameworks based flexible and foldable electrodes for high energy density all-solid-state supercapacitors","authors":"Om Priya Nanda ,&nbsp;Manaswini Ravipati ,&nbsp;Yadagiri Naik Banothu ,&nbsp;Rupesh Kumar ,&nbsp;Sushmee Badhulika","doi":"10.1016/j.jpcs.2025.113501","DOIUrl":"10.1016/j.jpcs.2025.113501","url":null,"abstract":"<div><div>Textile-based supercapacitors are advantageous over standard supercapacitors owing to their high surface area, flexibility, and lightweight nature, making them suitable for wearable electronics. Here, we demonstrate a carbon cloth textile-based asymmetric supercapacitor (ASC) using Nickel (Ni)/Cobalt (Co)-Metal Organic Framework (Ni/Co-MOF) and activated carbon (AC) as positive and negative electrodes, respectively. The bimetallic Ni/Co-MOF are grown via hydrothermal technique and confirmed by different physiochemical analysis. The scanning electron microscopic analysis reveals uniformly dispersed block-like surface morphology, while transmission electron microscopic analysis confirms the crystallinity with a lattice spacings less than ∼0.3 nm. Furthermore, the Ni/Co-MOF modified carbon cloth textile (CCT) electrode, with its excellent conductivity and large surface area, demonstrates superior pseudocapacitive behavior, achieving a specific capacitance of 778.2 F/g at 1 A/g using a 2 M NaOH electrolyte within a 0–0.5 V potential window. The textile-based Ni/Co-MOF//AC flexible asymmetric supercapacitor with PVA-NaOH solid electrolyte delivers a specific capacitance of 147 F/g at 1.5 A/g under a 1.5 V voltage. The device also exhibits a high energy density of 41.6 Wh/Kg at a power density of 1062 W/Kg with an exceptional stability of 79.65 % capacitance retention over 10,000 charge-discharge cycles. This remarkable outcome of the device is attributed to the excellent conductivity of Ni/Co-MOF and the large accessible surface area of activated carbon. Hence, the synergistic pairing of Ni/Co-MOF with AC is highly desirable in flexible and wearable electronic applications.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"211 ","pages":"Article 113501"},"PeriodicalIF":4.9,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145880276","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":"Ultrafast terahertz insight into photovoltaic performance of nanocrystalline hyperdoped silicon","authors":"S.I. Kudryashov ,&nbsp;I.M. Podlesnykh ,&nbsp;P.A. Chizhov ,&nbsp;V.V. Bulgakova ,&nbsp;A.A. Ushakov ,&nbsp;S.G. Buga ,&nbsp;V.A. Dravin ,&nbsp;Yu.G. Goncharov ,&nbsp;G.K. Krasin ,&nbsp;E.V. Kuzmin ,&nbsp;A.I. Vlasov ,&nbsp;M.S. Kovalev","doi":"10.1016/j.jpcs.2025.113473","DOIUrl":"10.1016/j.jpcs.2025.113473","url":null,"abstract":"<div><div>Hyperdoping of silicon beyond its equilibrium solubility limit by functional impurities offers a promising route to enhance near- and mid-infrared photovoltaic response by engineering optoelectronic properties within its nanoscale surface layers. In this study, we present the first contactless, time-resolved quantification of key conduction-band transport parameters—carrier scattering time (τ_c) and lifetime (τ_L)—in sulfur-hyperdoped (concentration C_S ∼ 10¹⁸-10²¹ cm⁻³) nanocrystalline layers of crystalline Si(100) wafers, using femtosecond optical pump/terahertz probe spectroscopy. Carriers were photoinjected into the conduction band by 400-nm, 60-fs pulses and probed via THz-driven 2-ps transient currents, circumventing the need for electrical contacts. Laser-annealed samples exhibit a constant, ultrashort scattering time τ_c ≈ 75 fs, related to their high drift mobility μ_d ≈ 7 × 10² cm²/Vs up to the break concentration C_B ≈ (2–4) × 10¹⁹ cm⁻³. Beyond this threshold, both τ_c and μ_d follow a power-law decay τ_c,μ_d ∼ (C_S − C_B)^ν with the power exponent <em>ν</em> ≈ −0.64, indicative of photoexcited carrier transport governed in the network of impurity sulfur atoms by scattering cross-section <em>r</em>_S² ∝ C_S^−2/3. Strikingly, carrier lifetime τ_L mirrors this dependence (<em>ν</em> ≈ −0.70), revealing that each elementary scattering event underpins a multi-step (∼250 steps) relaxation pathway, involving TA-phonon emission and trap-assisted Shockley-Read-Hall recombination. Against the previous common expectations, when combined with the sublinear increase of IR (1–20 μm) absorption coefficient versus sulfur concentration, these findings justify—for the first time—a concentration-dependent figure-of-merit that peaks near the unexpectedly low C_S ≈ C_B ∼ 10¹⁹ cm⁻³, as the optimal regime for maximizing photovoltaic efficiency in sulfur-hyperdoped silicon. This work bridges ultrafast carrier dynamics with macroscopic optoelectronic performance, providing a quantitative design principle for next-generation hyperdoped photovoltaic materials.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"211 ","pages":"Article 113473"},"PeriodicalIF":4.9,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145786999","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}