{"title":"Synthesis of uniformly dispersed NiCoFe trimetallic phosphide for efficient overall water splitting","authors":"Liqiang Yang, Liang Li","doi":"10.1016/j.jpcs.2025.112926","DOIUrl":"10.1016/j.jpcs.2025.112926","url":null,"abstract":"<div><div>NiCoFe trimetallic phosphides are synthesized using NiCoFe layered double hydroxides (NiCoFe-LDH) as precursors to investigate the impact of a third transition metal dopant on water-splitting properties. The ordered arrangement of transition metal ions within the LDH structure facilitates the phosphorization process, resulting in uniformly dispersed Ni<sub>x</sub>Co<sub>2</sub>Fe–P composites. The heterojunctions between different adjacent phosphide species facilitate electron transfer, modulate the electronic structure of active sites, and improve electrocatalytic properties. Compared to bimetallic phosphide. The Ni<sub>0.3</sub>Co<sub>2</sub>Fe–P composite exhibits the highest catalytic performance in both hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) in 1 M KOH. At the current density of 10 mA cm<sup>−2</sup>, the overpotential for HER and OER is only 91 mV and 290 mV, respectively. As a bifunctional electrocatalyst in an alkaline media, it requires a cell voltage of only 1.61 V to initiate the reaction, with stable electrolysis performance at 10 mA cm<sup>−2</sup> for at least 24 h without any deviation.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"207 ","pages":"Article 112926"},"PeriodicalIF":4.3,"publicationDate":"2025-06-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144281019","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":"Unveiling the multifaceted stability of a two-dimensional GeN3 monolayer: A potential anode for alkali-ion battery applications","authors":"Liaqat Ali , Javed Rehman , Chong-Wen Zhou","doi":"10.1016/j.jpcs.2025.112940","DOIUrl":"10.1016/j.jpcs.2025.112940","url":null,"abstract":"<div><div>Lithium (Li) and sodium-ion batteries (SIBs) operate on similar principles and are highly effective for energy storage applications. Over the past decade, the use of two-dimensional (2D) materials as both the LIBs and SIBs anode has made remarkable progress due to their unique layered structures, extensive planar surfaces, and abundantly accommodating active sites. Using first-principles calculations (DFT), we examined the surface chemistry and important related parameters of a two-dimensional monolayer GeN<sub>3</sub> for its application as a potential anode material for LIBs and SIBs. GeN<sub>3</sub> monolayer exhibits robust thermodynamic stability up to 1000 K, according to ab initio molecular dynamics (AIMD) simulations. Moreover, Li and Na show strong binding interactions with one of the favorable sites on the GeN<sub>3</sub> monolayer, along with essential charge (q) transfer from Li<sup>+</sup>/Na<sup>+</sup> to the GeN<sub>3</sub> sheet, thereby confirming the electrochemical reaction between Li<sup>+</sup>/Na<sup>+</sup> and the host material. In addition, the maximum theoretical storage capacity obtained for Li-ion and Na-ion in the GeN<sub>3</sub> monolayer is 467.4 and 350.6 mA h g<sup>−1</sup>, respectively. These compelling results from the current study establish a theoretical and technical framework for the progress of LIBs and SIBs.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"207 ","pages":"Article 112940"},"PeriodicalIF":4.3,"publicationDate":"2025-06-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144312518","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}
L.A. Al-Hajji, Adel A. Ismail, A.A. Nazeer, M. Alsaidi
{"title":"Heterojunctions based on metal layer double hydroxide with Bi2WO6 as efficient solar photocatalyst and antimicrobial agent","authors":"L.A. Al-Hajji, Adel A. Ismail, A.A. Nazeer, M. Alsaidi","doi":"10.1016/j.jpcs.2025.112929","DOIUrl":"10.1016/j.jpcs.2025.112929","url":null,"abstract":"<div><div>Photocatalysis is a highly prospective oxidation technology for the elimination of organic and biological pollutants. There is a considerable and urgent need to develop economic treatment methods that are cost-effective and energy resilient. Herein, pure Zn–Al and Zn–Ti Layered double hydroxides (LDHs) photocatalysts and hybrid with Bi<sub>2</sub>WO<sub>6</sub> were constructed using a hydrothermal process. The obtained photocatalysts were examined for their ability to disinfect gram-positive bacterial strains named <em>Staphylococcus aureus</em> using the agar disk diffusion approach, as well as their photocatalytic ability for photodegrading methylene blue (MB) under solar energy. The findings indicated that the obtained Zn–Ti/Bi<sub>2</sub>WO<sub>6</sub> LDH nanocomposite with a mass ratio of 10 % of Bi<sub>2</sub>WO<sub>6</sub> exhibited the best antibacterial efficacy against <em>S. aureus</em>, with a mean inhibition region diameter of 25.7 mm. Moreover, Zn–Ti/Bi<sub>2</sub>WO<sub>6</sub> LDH demonstrated remarkable photodegradation of MB dye as a model pollutant compared to the other catalysts with improved photocatalytic ability of 93 %. The rate constant of Zn–Ti/Bi<sub>2</sub>WO<sub>6</sub> LDH was enhanced 6 times greater than either Bi<sub>2</sub>WO<sub>6</sub> or Zn–Ti LDH. There was also excellent recyclability for five consecutive runs with slightly reduction of the photocatalytic ability using the obtained Zn–Ti/Bi<sub>2</sub>WO<sub>6</sub> LDH nanocomposite. Mott-Schottky plots analysis, electrochemical impedance, isoelectric point (pH<sub>IEP</sub>), trapping experiments and bandgap calculations were performed to have a deep insight into the photocatalytic mechanism of the Zn–Ti/Bi<sub>2</sub>WO<sub>6</sub> catalyst. This work could be expected to address of ultrathin S-scheme Zn–Ti/Bi<sub>2</sub>WO<sub>6</sub> LDH heterostructure for developing stable and efficient photocatalysts and understanding the photocatalysis applications under solar energy.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"207 ","pages":"Article 112929"},"PeriodicalIF":4.3,"publicationDate":"2025-06-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144312646","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":"Engineering high performance LiNi0·8Co0·1Mn0·1O2 cathodes through controlling fabrication methods","authors":"Mona Maali , Alireza Babaei , Abolghasem Ataie , Ulrich Schürmann , Jakob Offermann , Tim Tjardts , Rainer Adelung , Mozaffar Abdollahifar","doi":"10.1016/j.jpcs.2025.112933","DOIUrl":"10.1016/j.jpcs.2025.112933","url":null,"abstract":"<div><div>The demand for high-energy Li-ion batteries has spurred extensive research on Ni-rich layered cathode materials, particularly LiNi<sub>0</sub><sub>·</sub><sub>8</sub>Co<sub>0</sub><sub>·</sub><sub>1</sub>Mn<sub>0</sub><sub>·</sub><sub>1</sub>O<sub>2</sub> (NMC811). However, challenges such as cation mixing and structural instability persist, hindering their widespread application. This study investigates the synergistic effects of co-precipitation and high-energy ball milling techniques on the physicochemical and electrochemical properties of NMC811 cathode materials for lithium-ion batteries. By meticulously controlling ammonia concentration during co-precipitation, a uniform particle distribution within the precursor material was achieved. Subsequent high-energy ball milling further refined the material, promoting a reduction in particle size and an increase in oxygen vacancy concentrations, as confirmed by different characterizations. These structural modifications resulted in enhanced electrochemical performance, including improved rate capability and cycling stability. Electrochemical Impedance Spectroscopy confirmed these enhancements, revealing a significantly higher Li-ion diffusion coefficient and reduced interfacial resistances for the ball-milled sample, compared to NMC811 synthesized without ball milling. The ball-milled NMC811 exhibited a higher capacity retention of 81 % after 100 cycles at 0.5C, compared to 69 % for the non-ball-milled sample. This improvement is attributed to the reduced particle size and increased oxygen vacancies, which facilitate faster lithium-ion diffusion, as directly supported by the increased D<sub>Li</sub>, and enhanced structural stability, partly by mitigating detrimental phase transitions like the H2–H3 transition during cycling. The findings underscore the potential of combining co-precipitation with high-energy ball milling as a viable strategy for developing high-performance NMC811 cathodes for advanced lithium-ion battery applications.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"207 ","pages":"Article 112933"},"PeriodicalIF":4.3,"publicationDate":"2025-06-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144281018","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":"Indentation-induced intercolumnar shearing in AlN thin films grown on Si(111) substrate","authors":"Sheng-Rui Jian , Jenh-Yih Juang","doi":"10.1016/j.jpcs.2025.112932","DOIUrl":"10.1016/j.jpcs.2025.112932","url":null,"abstract":"<div><div>The interrelations between microstructure and deformation behaviors induced by using nanoindentation in AlN thin films deposited on Si(111) substrates are investigated with a Berkovich indenter in this study. The AlN thin films prepared by helicon sputtering are having apparent columnar grain structure (∼20–40 nm in diameter) with thickness of about 350 nm. The cross-sectional transmission electron microscopy (XTEM) observations performed on Berkovich nanoindentation-induced deformation region revealed evidence of cracks resulted from intercolumnar shearing in AlN thin film. Moreover, sharp shearing-induced steps at the film/substrate interface were observed, which was found to intimately correlate with the multiple pop-ins phenomena appearing in the loading part of load-displacement curve. The XTEM results also indicated that, within the Si(111) substrate, in addition to the slip bands appearing on {111} planes, there exists a nanoindentation-induced phase transformation zone containing the metastable phases of Si-III and Si-XII, accompanying with substantial amorphous regions. An indentation-energy model based on the shearing crack driving deformation is proposed to evaluate the intercolumnar shear stress for AlN thin film.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"207 ","pages":"Article 112932"},"PeriodicalIF":4.3,"publicationDate":"2025-06-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144269993","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}
Ioannis A. Poimenidis , Michalis Liapakis , Argyro Klini , Maria Farsari , Stavros D. Moustaizis , Panagiotis A. Loukakos , Michalis Konsolakis
{"title":"Ni deposition on nickel foam via the use of high-frequency currents for enhanced hydrogen evolution reaction in alkaline media","authors":"Ioannis A. Poimenidis , Michalis Liapakis , Argyro Klini , Maria Farsari , Stavros D. Moustaizis , Panagiotis A. Loukakos , Michalis Konsolakis","doi":"10.1016/j.jpcs.2025.112930","DOIUrl":"10.1016/j.jpcs.2025.112930","url":null,"abstract":"<div><div>Herein, a novel laboratory apparatus of physical vapor deposition (PVD) for Ni thin film fabrication is applied to improve the Hydrogen Evolution Reaction (HER) kinetics of nickel foam (NF) electrodes. The proposed setup utilizes high-frequency currents (Eddy currents), applying a Zero Voltage Switching (ZVS) heater to sublimate the sacrificial material, offering lower energy consumption, faster deposition time, and uniform thin film deposition. Morphological and structural characterizations revealed the formation of a well-anchored thin film consisting of Ni nanoparticles of dendrite-like morphology, which offers an increased electrochemically active surface area and improved charge transport. Electrochemical tests demonstrated the superiority of the proposed electrode prepared by the proposed PVD setup (Ni@NF-PVD), offering a low Tafel slope of 88 mV dec<sup>−1</sup> and a high double-layer capacitance (C<sub>DL</sub>) of 12.6 mF cm<sup>−2</sup>. This performance surpasses the corresponding one of similar Ni@NF electrodes prepared by other techniques, such as electrodeposition and pulsed laser deposition.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"207 ","pages":"Article 112930"},"PeriodicalIF":4.3,"publicationDate":"2025-06-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144281056","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":"Facile green fabrication of boehmite-infused PVA nanocomposites with superior mechanical, thermal and electrical performance","authors":"K. Meera, M.T. Ramesan","doi":"10.1016/j.jpcs.2025.112931","DOIUrl":"10.1016/j.jpcs.2025.112931","url":null,"abstract":"<div><div>This study investigates the effect of boehmite (Bht) nanoparticles (NPs) on the thermal stability, mechanical attributes, electrical conductivity, impedance, and dielectric responses of polyvinyl alcohol (PVA) films. PVA/Bht nanocomposites (NC) were prepared using a water-based solution-casting method with Bht concentrations of 3, 5, 7, and 10 wt%. FTIR analysis confirmed effective hydrogen bonding interaction between PVA and Bht, indicating successful nanoparticle integration. XRD patterns showed the presence of Bht within the polymer matrix. Increased Bht loading significantly improved UV-B and UV-C blocking while reducing bandgap energy. FE-SEM and HR-TEM revealed homogeneous dispersion of Bht NPs and good interfacial compatibility with the PVA matrix. Thermal analysis revealed that the NC exhibited improved thermal stability along with glass transition and melting temperatures. Mechanical testing revealed improved tensile strength (TS) and Young's modulus (YM), accompanied by a reduction in elongation at break. Maximum TS (39.98 MPa) and YM (490 MPa) were recorded for PVA with 7 wt% Bht. Dielectric measurements showed that the dielectric constant reduced with increasing frequency, while AC conductivity increased. Among the materials, PVA containing 5 wt% Bht exhibited the highest conductivity at high frequencies (3.56 × 10<sup>−7</sup> S/cm). Arrhenius and impedance analyses verified that electrical conductivity increased with temperature. Overall, the study demonstrates the potential of PVA/Bht NC as promising materials for flexible dielectric components and energy storage applications, enabling a renewable and efficient approach to material enhancement.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"207 ","pages":"Article 112931"},"PeriodicalIF":4.3,"publicationDate":"2025-06-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144281057","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":"Formation of intermetallic phases and texture evolution in Ni0.95Mo0.05/Ti multilayer","authors":"A.S. Konashuk , E.O. Filatova , A.U. Gaisin , A.V. Karataev , D.V. Danilov , V.A. Matveev , S.S. Sakhonenkov","doi":"10.1016/j.jpcs.2025.112927","DOIUrl":"10.1016/j.jpcs.2025.112927","url":null,"abstract":"<div><div>This study presents a comprehensive investigation of the chemical and structural properties, particularly the texture, of glass/[Ni<sub>0</sub><sub>.</sub><sub>95</sub>Mo<sub>0</sub><sub>.</sub><sub>05</sub>/Ti]<sub>N</sub> multilayer systems with period thicknesses ranging from 4 to 20 nm. A combination of X-ray diffraction (XRD), X-ray reflectometry (XRR), high resolution transmission electron microscopy (HRTEM), selected area electron diffraction (SAED) and X-ray photoelectron spectroscopy (XPS) was employed for the analysis. A gradual change in the preferred orientation of hexagonal α-Ti crystallites from (002) to (100) with increasing period thickness was revealed, which potentially explains the growth of layer waviness from the substrate to the surface with increase of period thickness. Crystallization of Ni<sub>0</sub><sub>.</sub><sub>95</sub>Mo<sub>0.05</sub> in the form of solid solution was established. The formation of Ni<sub>1-x</sub>Ti<sub>x</sub> intermetallic compounds at the interfaces was shown, with an average stoichiometry of x ≈ 0.5. These presumably comprise a mixture of Ni-rich and Ti-rich intermetallics. As the period thickness increases, crystallization of the intermetallics in the form of mixture of Ni<sub>3</sub>Ti and Ti<sub>2</sub>Ni as well as refinement (fragmentation) of the grains of the intermetallic compounds was revealed. The results obtained provide insights into the problem of creating sharp interfaces in multilayered systems, which is essential for the development of high-efficient reflective elements for neutron optics as well as for X-ray microscopy in the spectral range of the “water window\".</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"207 ","pages":"Article 112927"},"PeriodicalIF":4.3,"publicationDate":"2025-06-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144270048","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":"Synthesis and trigonal structure of a new lead-free zero-dimensional perovskite (CH3NH3)2[SnBr6] with multifunctional optical and electrical properties","authors":"Imen Ibrahmi , Imen Gharbi , Iheb Garoui , Sandy Auguste , Walid Rekik , Jean-François Bardeau , Gwenaël Corbel , Abderrazek Oueslati","doi":"10.1016/j.jpcs.2025.112909","DOIUrl":"10.1016/j.jpcs.2025.112909","url":null,"abstract":"<div><div>Tin-halide perovskites have recently gained attention as a promising alternative to lead-halide perovskites for optoelectronic and photovoltaic applications. This study focuses on synthesizing and characterizing the zero-dimensional perovskite-type halide (CH<sub>3</sub>NH<sub>3</sub>)<sub>2</sub>[SnBr<sub>6</sub>]. The compound was successfully synthesized through the slow evaporation technique at ambient temperature. The crystal structure was determined using diffraction data from a single crystal, confirming that the compound crystallizes in the R-3m trigonal space group. Furthermore, X-ray diffraction analysis of the powdered sample, obtained by grinding multiple crystals, demonstrated that all crystals share an identical chemical composition. Raman spectroscopy provided comprehensive insights into the vibrational properties of the material. Optical absorption analysis revealed a direct band gap of approximately 3.21 eV, indicating the semiconductor nature of the material. The complex impedance spectroscopy (CIS) method is employed to investigate the material's electrical and dielectric behaviors, with an emphasis on carrier dynamics, grain boundaries influence, dielectric relaxation (localized relaxation), and long-range conduction (non-localized relaxation). Analyzing the complex impedance and electric modulus allows identifying the grain boundary's contribution to the material's conductive and dielectric properties, revealing a non-Debye relaxation behavior. The compound demonstrates low dielectric loss and a high permittivity value (<em>ε</em> ∼ 10<sup>3</sup>). By addressing the scientific challenge of improving material performance for microelectronics, this research advances the field and paves the way for further exploration and application of organic-inorganic hybrid materials.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"207 ","pages":"Article 112909"},"PeriodicalIF":4.3,"publicationDate":"2025-06-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144281017","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}
Jigneshkumar B. Barot , Himalay Kolavada , Sanjeev K. Gupta , P. N. Gajjar
{"title":"2D hafnium halides and hetero halides: Bridging topological properties and quantum capacitance","authors":"Jigneshkumar B. Barot , Himalay Kolavada , Sanjeev K. Gupta , P. N. Gajjar","doi":"10.1016/j.jpcs.2025.112928","DOIUrl":"10.1016/j.jpcs.2025.112928","url":null,"abstract":"<div><div>Two-dimensional (2D) topological insulators (TIs) have become an intriguing family of materials due to their potential applications in spintronics, quantum computing, and nanoelectronics, as well as their resilient edge states shielded by time-reversal symmetry. The structural, electronic, optical and topological characteristics of hafnium halides and their hetero halides (<span><math><mrow><msub><mtext>Hf</mtext><mn>2</mn></msub><msub><mi>X</mi><mn>2</mn></msub></mrow></math></span>, where X = one or two halogen from Cl, Br and I) are examined in this work. We verify their non-trivial topological character by analyzing their stability, band structures, and topological invariants using first-principles density functional theory (DFT) computations. Our findings show that halide composition and spin-orbit coupling (SOC) have a major impact on band inversion. The topological insulator nature is confirmed by the presence of gapless edge states and the computed z2 invariant. Optical properties of these materials, such as their absorption spectra and dielectric function, demonstrate their potential for use in optoelectronics. Additionally, calculations of quantum capacitance show that it has a large capacity for storing charge. This thorough investigation of hafnium halides and hafnium hetero halides identifies them as viable options for 2D TIs with a variety of applications in optoelectronics and energy storage.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"207 ","pages":"Article 112928"},"PeriodicalIF":4.3,"publicationDate":"2025-06-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144254081","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}