Journal of Physics and Chemistry of Solids最新文献

{"title":"Tunable ohmic contacts in two-dimensional ZnO monolayer via surface-engineered metallic Pd substrates: A first principles study","authors":"Lanli Chen ,&nbsp;Zhihua Xiong ,&nbsp;Hongduo Hu ,&nbsp;Haiqing Han ,&nbsp;Yuanyuan Cui","doi":"10.1016/j.jpcs.2025.112921","DOIUrl":"10.1016/j.jpcs.2025.112921","url":null,"abstract":"<div><div>Achieving reliable ohmic contacts at metal-semiconductor interfaces is crucial for reducing carrier injection barriers and optimizing device performance. However, creating a low Schottky barrier at the metal/ZnO interface remains challenging. Herein, we present a comprehensive investigation into monolayer ZnO contacted by surface-engineered-Pd substrate with <em>X</em>-modification (<em>X</em> = N, H, O) via first-principles calculations based on the DFT + <em>U</em> method. The results show that the contact types and Schottky barrier heights (SBH) of Pd/ZnO heterojunctions can be effectively tuned by <em>X</em>-modification. The Pd–ZnO heterojunction forms an <em>n</em>-type Schottky contact with the SBH of 0.675 eV. The Pd–H–ZnO heterojunction yields a <em>p</em>-type Schottky contact with the SBH of 0.571 eV. Notably, the Pd–N–ZnO heterojunction transitions from an <em>n</em>-type to a quasi-ohmic with an ultra-low SBH of 0.068 eV, suggesting its potential for energy-efficient transistor device. In contrast, the Pd–O–ZnO heterojunction forms a <em>p</em>-type ohmic contact with the SBH of −0.159 eV, attributed to significant work function variation and structural distortion. The SBH in the Pd–O–ZnO heterostructure can be modulated by adjusting oxygen coverage, enabling a transition from a <em>p</em>-type Schottky contact to a <em>p</em>-type ohmic contact. Additionally, the contact type of the Pd–O–ZnO heterostructure can be fine-tuned by applying strain, shifting from a <em>p</em>-type ohmic contact to a quasi-ohmic contact when strain exceeds 4 %, The ability to achieve both <em>p</em>-type and <em>n</em>-type ohmic contacts suggests that surface-engineered Pd substrates on two-dimensional ZnO-based materials may have potential applications in complementary metal-oxide-semiconductor (CMOS) devices.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"207 ","pages":"Article 112921"},"PeriodicalIF":4.3,"publicationDate":"2025-06-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144242635","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":"Unraveling the electronic, vibrational, thermodynamic, optical and piezoelectric properties of LiNbO3, LiTaO3 and Li2NbTaO6 from first-principles calculations","authors":"Debidutta Pradhan,&nbsp;Rojalin Swain,&nbsp;Souvagya Kumar Biswal,&nbsp;Jagadish Kumar","doi":"10.1016/j.jpcs.2025.112879","DOIUrl":"10.1016/j.jpcs.2025.112879","url":null,"abstract":"<div><div>The piezoelectric and optical properties are pivotal in advancing modern microelectronics and smart device technologies. In this context, LiNbO<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span> and LiTaO<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span> emerge as promising functional perovskites, exhibiting appreciable ferroelectric and nonlinear optical properties with a broad range of applications. In this study, we have investigated electronic, vibrational, optical, thermal and piezoelectric properties of LiNbO<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span>, LiTaO<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span> and Li<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>NbTaO<span><math><msub><mrow></mrow><mrow><mn>6</mn></mrow></msub></math></span> using first-principles calculations based on density functional theory. We have checked the structural stability by calculating the tolerance factor and formation energy before proceeding to further calculations. The ground state electronic band structures and corresponding density of states establish their semiconducting nature with a wide band gap range of 3.5–3.7 eV. Optical properties, including the dielectric function, absorption coefficient, optical conductivity, refractive index, absorbance, and reflectance, were simulated using time-dependent perturbation theory. Furthermore, the piezoelectric properties and Born effective charges were systematically investigated to elucidate the underlying correlation between covalency and induced polarization. In these materials, the distortion affected by the small ionic radius of Li<span><math><msup><mrow></mrow><mrow><mo>+</mo></mrow></msup></math></span>, coupled with the strong covalent interaction between transition metal elements and oxygen, leads to high spontaneous polarization, enhancing their piezoelectric and optical properties.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"207 ","pages":"Article 112879"},"PeriodicalIF":4.3,"publicationDate":"2025-06-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144242630","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":"Sphere-like Co-doped Ni metal-organic framework for enhanced oxygen evolution reaction","authors":"Mani Sivakumar ,&nbsp;Veeramani Vediyappan ,&nbsp;Manivannan Bhuvaneshwari ,&nbsp;Balamurugan Muthukutty ,&nbsp;Ponnaiah Sathish Kumar ,&nbsp;Seong-Cheol Kim ,&nbsp;Krishnapandi Alagumalai ,&nbsp;Gabriela Sandoval-Hevia","doi":"10.1016/j.jpcs.2025.112918","DOIUrl":"10.1016/j.jpcs.2025.112918","url":null,"abstract":"<div><div>In recent years, economically viable multifunctional materials with large surface areas and exposed active metal sites, based on bimetallic metal-organic frameworks (MOFs), have emerged as excellent candidates for oxygen evolution reaction (OER). In this study, we synthesized sphere-like Co@Ni-MOF-X and Ni-MOF samples via a hydrothermal approach using 1,4-dicarboxylic acid as the organic source. Surface morphology and XRD patterns of the sphere-like Co@Ni-MOF-X and Ni-MOF samples were examined to confirm their crystallographic structure, phase purity, and morphology of as synthesized MOFs. Subsequently, modified electrodes using the sphere-like Co@Ni-MOF-X and Ni-MOF samples were subjected to electrochemical impedance spectroscopy (EIS) and linear sweep voltammetry (LSV) to assess their charge transfer resistance (R_ct) and OER performance in alkaline media. The Co@Ni-MOF-2 (317 mV) and Co@Ni-MOF-3 (293 mV) samples exhibited promising OER performance at a scan rate of 10 mV s⁻¹. Additionally, the Co@Ni-MOF-2 and Co@Ni-MOF-3 samples showed Tafel plot values of 140 and 168 mV dec⁻¹, respectively. Furthermore, Co@Ni-MOF-2 demonstrated good stability performance.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"207 ","pages":"Article 112918"},"PeriodicalIF":4.3,"publicationDate":"2025-06-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144242649","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":"Calcium-decorated boron-carbide T-graphene nanocage for hydrogen storage: A DFT study","authors":"Imran Hasan ,&nbsp;Suranjana V. Mayani ,&nbsp;Suhas Ballal ,&nbsp;Abhayveer Singh ,&nbsp;Shaker Al-Hasnaawei ,&nbsp;T. Krithiga ,&nbsp;Subhashree Ray ,&nbsp;Kamal Kant Joshi","doi":"10.1016/j.jpcs.2025.112922","DOIUrl":"10.1016/j.jpcs.2025.112922","url":null,"abstract":"<div><div>The Boron-carbide T-graphene (BC) nanocage, functionalized with a calcium (Ca) atom as an alkaline-earth metal dopant, was investigated for its potential as a high-capacity hydrogen storage material. All calculations were performed using density functional theory (DFT) at the B3LYP/6-311G(d,p) level of theory. A single Ca atom was initially decorated into the BC nanocage to evaluate its hydrogen adsorption capabilities. The results of Natural Bond Orbital (NBO) Analysis, molecular electrostatic potential (MEP) maps, and quantum theory of atoms in molecules (QTAIM) analysis revealed that the incorporation of Ca atoms with BC (Ca–BC) enhanced the adsorption of H₂ molecules. The Ca–BC nanocage demonstrated the ability to adsorb up to six H₂ molecules per Ca atom, with an average adsorption energy of approximately −0.20 eV per H₂ molecule, indicating physisorption. To further assess the hydrogen storage capacity, the BC nanocage was doped with the maximum possible number of Ca atoms (six Ca atoms, denoted as 6Ca–BC). This system exhibited a high gravimetric hydrogen storage capacity of 8.7 wt%, highlighting the potential of the Ca–BC nanocage as an excellent candidate for H₂ storage applications.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"207 ","pages":"Article 112922"},"PeriodicalIF":4.3,"publicationDate":"2025-06-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144255074","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":"Design and optimization of high responsivity and detectivity of lead-free tin-based perovskite photodetectors by numerical simulation","authors":"WeiWei Xie ,&nbsp;ChaoLing Du ,&nbsp;YangMao Luo ,&nbsp;ShuiYan Cao","doi":"10.1016/j.jpcs.2025.112919","DOIUrl":"10.1016/j.jpcs.2025.112919","url":null,"abstract":"<div><div>The low exciton binding energies, high optical absorption coefficients, narrow bandgaps, and non-toxicity make tin halide perovskites stand out as strong potentials for photodetectors (PDs). Here, three different narrow bandgap tin-based perovskites (MASnI₃, FASnI₃, and CsSnI₃) and six different wide bandgap n-type doped semiconductors (ZnO,TiO₂,SnO₂,ZnSe,WS₂ and CeO₂) were combined to construct heterojunction PDs, whose <strong>PD performance</strong> was predicted by SCAPS-1D. The thickness, doping concentration and defect density of the component layers were optimized to further reduce the carrier recombination losses and dark current densities to boost their performance. It reveals that the obtained Voc, Jsc and the maximum responsivity (R) are larger than 0.6 V, 24 mA/cm², and 0.4 A/W, respectively, while the maximum detectivity (D∗) reaches ∼10¹⁴ Jones. It demonstrates that the proposed environmentally friend PDs are hopeful to boost the performance of perovskite PDs and provide new ways for future perovskite PD designs and applications.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"207 ","pages":"Article 112919"},"PeriodicalIF":4.3,"publicationDate":"2025-06-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144242634","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":"Development and current status of electrochemical energy storage materials","authors":"Shucun Li ,&nbsp;Miao Zhu ,&nbsp;Peng Wang ,&nbsp;xuejun Mo","doi":"10.1016/j.jpcs.2025.112917","DOIUrl":"10.1016/j.jpcs.2025.112917","url":null,"abstract":"<div><div>This paper reviews the current development status of electrochemical energy storage materials, focusing on the latest progress of sulfur-based, oxygen-based, and halogen-based batteries. Sulfur-based batteries have the advantages of high theoretical capacity and low cost, but face issues such as polysulfide shuttle effect and lithium dendrite growth. Oxygen-based batteries utilize oxygen as the cathode active material, but are limited by the irreversible decomposition of discharge product Li₂O₂ and slow reaction kinetics. Halogen-based batteries have high safety and cost-effectiveness, but are limited by zinc dendrite and bromine shuttle effects. Through innovative material design and catalytic mechanisms, these batteries have made significant progress in energy density, cycle life, and cost, but still need to overcome core issues in commercialization.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"207 ","pages":"Article 112917"},"PeriodicalIF":4.3,"publicationDate":"2025-06-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144242648","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":"Investigating the impact of reaction time on hydrothermal synthesis of Co(OH)2 electrodes and their symmetric device performance","authors":"Vijay L. Shinde ,&nbsp;Minaj M. Faras ,&nbsp;Pavan K. Pagare ,&nbsp;Appasaheb P. Torane","doi":"10.1016/j.jpcs.2025.112893","DOIUrl":"10.1016/j.jpcs.2025.112893","url":null,"abstract":"<div><div>This study investigates the hydrothermal synthesis of Co(OH)₂ nanosheets directly grown on a flexible stainless-steel film for supercapacitor applications. A systematic investigation of the hydrothermal reaction time was conducted to optimize the growth and morphology of the Co(OH)₂ nanosheets. The resulting electrode material was characterized using XRD, FTIR, XPS, SEM and BET assessment. XRD analysis confirmed the formation of a single-phase hexagonal crystal structure for Co(OH)₂. The optimized sample exhibited a specific surface area of approximately 5.0 m²/g. The Co(OH)₂ nanosheet electrode demonstrated a specific capacitance of 312 F/g at a current density of 0.7 mA/cm². At 100 mV/s, the electrode maintained 74.63 % of its initial performance after 2000 cycles. A solid-state symmetric energy storage device, (CH12//CH12), provided a maximum capacitance of 38 F/g at 0.7 mA/cm², and the calculated energy density is 7.38 Wh/kg. To demonstrate practicality, a red light-emitting diode (LED) was powered, which maintained 79.4 % of its initial illumination time. The Co(OH)₂ nanosheets on flexible substrates show great potential as high-capacitance electrode materials for energy storage.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"207 ","pages":"Article 112893"},"PeriodicalIF":4.3,"publicationDate":"2025-06-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144270047","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, mechanical, electronic, vibrational and thermodynamic properties of Bis(2,4-dinitrophenyl) ether","authors":"Hao Liu ,&nbsp;Wei Zeng ,&nbsp;Zheng-Tang Liu ,&nbsp;Xiang-Hui Chang","doi":"10.1016/j.jpcs.2025.112916","DOIUrl":"10.1016/j.jpcs.2025.112916","url":null,"abstract":"<div><div>Bis (2,4-dinitrophenyl) ether (BDNPE) is a nitroaromatic compound with potential applications as a low sensitivity energetic material, but there is a lack of comprehensive understanding of its structure property relationship. In this study, we systematically investigated the mechanical, electronic, vibrational, and thermodynamic properties of BDNPE using density functional theory (DFT) combined with quasi harmonic approximation (QHA). The deviation between the optimized lattice parameters and the experimental crystallographic data is less than 3 %. The optimized crystal structure exhibits anisotropic mechanical behavior, with a bulk modulus of B = 11.09 GPa and a shear modulus of G = 4.74 GPa, indicating moderate rigidity. Pugh ratio (G/B = 0.427) and Poisson's ratio (ν = 0.313) confirm ductile behavior. Electronic structure analysis shows that the direct bandgap is 2.17 eV, mainly due to strong hybridization between O-2p and N-2p orbitals. The phonon dispersion calculation confirms the dynamic stability and proves the reliability of our method. Vibration spectroscopy analysis (IR and Raman) showed characteristic peaks corresponding to specific functional group vibrations. The medium-high frequency mode (1200-3200 cm⁻¹) is mainly attributed to the aromatic C–H oscillation. The low-frequency region (600-900 cm⁻¹) contains ring deformation modes, out of plane C–H, and nitro oscillation vibrations. The temperature dependent thermodynamic functions were derived through quasi harmonic approximation, including Helmholtz free energy (F), entropy (S), enthalpy (H), Gibbs free energy (G), and isochoric heat capacity (Cv). These computational results establish important benchmarks for future experimental validation and provide critical insights for the design of BDNPE based materials.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"207 ","pages":"Article 112916"},"PeriodicalIF":4.3,"publicationDate":"2025-06-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144262349","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":"Multicolor tunable luminescence in Dy3+/Eu3+ co-doped CaLaGaO4 phosphors for advanced lighting and display technologies","authors":"Ankoji Parvathala ,&nbsp;S.V. Prahbakar Vattikuti ,&nbsp;Mohammad Rezaul Karim ,&nbsp;N. Suresh Kumar ,&nbsp;Ezhakudiyan Ravindran ,&nbsp;P. Rosaiah ,&nbsp;Nam Nguyen Dang","doi":"10.1016/j.jpcs.2025.112911","DOIUrl":"10.1016/j.jpcs.2025.112911","url":null,"abstract":"<div><div>Tunable multicolor luminescence Dy³⁺ and Eu³⁺ co-doped CaLaGaO₄ phosphors are synthesis by a high-temperature solid-state reaction technique. The X-ray diffraction (XRD) studies confirmed the single phase tetragonal crystal structure for all the prepared samples, elemental and oxidation states are revealed by X-ray photoelectron spectroscopy (XPS) studies, FTIR studies confirmed the metallic and oxygen bonds existence in all the samples. CaLaGaO₄: Dy³⁺ phosphor exhibits strong emission peaks at 484 nm (blue) and 576 nm (yellow) under excited at 388 nm, with 0.7% Dy³⁺ doping being the optimum concentration. In addition, the possibility of energy transfer is demonstrated by spectrum overlap analysis of Dy³⁺ and Eu³⁺ in CaLaGaO₄: 0.7% Dy³⁺, y% Eu³⁺ co-doped phosphor. CaLaGaO₄: Dy³⁺/Eu³⁺ co-doped phosphors are excited under 388 nm, the emission spectra is consist of emission peaks at 484 nm, 576 nm, 590 nm, 613 nm, 652 nm, and 701 nm, which are corresponding to Dy³⁺ and Eu³⁺ ions. Moreover, the emission spectral data and fluorescence decay lifetimes evinced the energy transfer in CaLaGaO₄:Dy³⁺/Eu³⁺ co-doped phosphors. At 0.5% Eu³⁺, the energy transfer efficiency can reach 78%, and the reason is disclosed through energy transfer mechanism. By adjusting the doping of Eu³⁺ ion concentration in CaLaGaO₄: 0.7% Dy³⁺, y% Eu³⁺, the CIE and associated color temperature can be adjusted for accomplishing tunable luminescence from cold yellowish white light to cold white and warm reddish-orange emitting light. In summary, outcomes demonstrated that the prepared CaLaGaO₄: Dy³⁺/Eu³⁺ phosphors are viable candidates for multicolor tunable phosphors, with potential candidates for white light-emitting diodes (WLEDs) and display technologies.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"207 ","pages":"Article 112911"},"PeriodicalIF":4.3,"publicationDate":"2025-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144242632","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":"Etching duration as a key parameter for tailoring Ti3C2Tx MXene electrochemical properties","authors":"P.E. Lokhande ,&nbsp;Udayabhaskar Rednam ,&nbsp;Syed Khasim ,&nbsp;Taymour A. Hamdalla ,&nbsp;Amol Vedpathak ,&nbsp;Deepak Kumar ,&nbsp;Kulwinder Singh","doi":"10.1016/j.jpcs.2025.112902","DOIUrl":"10.1016/j.jpcs.2025.112902","url":null,"abstract":"<div><div>Since the groundbreaking discovery of 2D MXenes in 2011, these materials have garnered immense interest for their exceptional properties in energy storage applications. The performance of MXenes in this domain is highly dependent on synthesis parameters, with the synthesis kinetics playing a pivotal role. In this work, Ti₃C₂T_x MXene was produced through hydrofluoric (HF) acid etching, conducted over durations of 48, 72, and 96 h. The resulting MXene was comprehensively characterized to examine its structural and morphological attributes. It was observed that the interlayer spacing of Ti₃C₂T_x MXene was influenced by the etching time, led to the formation of defects in the material's layers. Among the samples, the one obtained by etching for 72 h exhibited the optimal specific capacitance, achieving 488 Fg^-1 at a current density of 0.25 Ag^-1, along with excellent rate performance. A supercapacitor device assembled using this MXene and activated carbon delivered an energy density of 5 Whkg⁻¹ and a power density of 1000 Wkg^-1, accompanied by outstanding cyclic stability. These findings underscore the critical importance of etching duration in enhancing the electrochemical performance of MXene materials.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"207 ","pages":"Article 112902"},"PeriodicalIF":4.3,"publicationDate":"2025-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144229909","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}