Journal of Physics and Chemistry of Solids最新文献

{"title":"Six-membered carbon rings growth in CO2 reforming reactions on different nickel surfaces: A DFT study","authors":"Kuo Li ,&nbsp;Baihe Guo ,&nbsp;Haiyu Liu ,&nbsp;Yan Jin ,&nbsp;Jingyu Ran ,&nbsp;Juntian Niu","doi":"10.1016/j.jpcs.2025.112869","DOIUrl":"10.1016/j.jpcs.2025.112869","url":null,"abstract":"<div><div>Reducing carbon emissions and achieving carbon neutrality are essential measures to address global warming and promote sustainable human development. The dry reforming of methane (DRM) reaction is a beneficial method for employing CH₄ and CO₂, both of which are significant greenhouse gases. Nevertheless, maintaining a stable reforming reaction proves challenging because of carbon buildup on the catalyst surface. Nickel-based catalysts have been extensively studied because of their unique properties. Utilizing density functional theory (DFT), this paper investigates the adsorption and growth processes of six-membered carbon ring with different numbers on different Ni surfaces. The adsorption configurations and growth behaviors of carbon rings on various surfaces are studied and analyzed. By calculating adsorption energy and average carbon binding energy through quantitative simulation, combined with density of state (DOS) and electronic orbital analysis, the results indicate that different Ni surfaces have varying degrees of binding with carbon rings. Graphite carbon binds most strongly to the Ni(100) surface compared with other surfaces. The surface resistance to carbon deposition follows this order: Ni(111) &gt; Ni(211) &gt; Ni(311) &gt; Ni(100). This research reveals the atomic-level behaviors behind the growth of graphite carbon on different Ni surfaces.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"206 ","pages":"Article 112869"},"PeriodicalIF":4.3,"publicationDate":"2025-05-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144088726","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":"Efficient selective separation of dyes by TA-MoS2/Calcium silicate hydrate composite filtration system","authors":"Yulian Bai,&nbsp;Guozhi Jia","doi":"10.1016/j.jpcs.2025.112864","DOIUrl":"10.1016/j.jpcs.2025.112864","url":null,"abstract":"<div><div>The effective separation and resource recovery of composite dye wastewater pose significant challenges in the treatment of organic dye wastewater. Composite dye wastewater treatment faces challenges in separation and resource recovery. We developed a novel filtration system using calcium silicate hydrate and tannic acid-grafted MoS₂ nanosheets. The system achieves high water permeance and exceptional dye separation efficiency. The system attains a water permeance of 1523 L m⁻² h⁻¹·bar⁻¹. Notably, the separation efficiency for methylene blue reaches 99.6 %, while that for methyl orange is only 8.9 %. Importantly, the separation efficiency for composite dyes remains above 94 % after 11 consecutive treatment of simulated dye wastewater. The high water permeance in the composite filtration system is attributed to the synergistic effect between the water transport channels of porous calcium silicate hydrate and the layer spacing of molybdenum disulfide nanosheets, which is regulated by tannic acid. The high filtration efficiency is primarily due to the adjustment of the interlayer spacing and surface charge modification of molybdenum disulfide by tannic acid grafting, as well as the synergistic effect of electrostatic adsorption by the nanofiltration membrane and calcium silicate hydrate. Furthermore, the composite filtration system demonstrates excellent stability, highlighting its potential for repeated use.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"206 ","pages":"Article 112864"},"PeriodicalIF":4.3,"publicationDate":"2025-05-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144072490","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":"Achieving over 31 % efficiency in Ba3PCl3 solar cells through Cu-based back surface field (BSF) engineering","authors":"Basra Sultana ,&nbsp;Puja Das ,&nbsp;Md Masum Mia ,&nbsp;Mustafa K.A. Mohammed ,&nbsp;Mahabur Rahman ,&nbsp;Mongi Amami ,&nbsp;Lamia Ben Farhat ,&nbsp;Md. Ferdous Rahman","doi":"10.1016/j.jpcs.2025.112861","DOIUrl":"10.1016/j.jpcs.2025.112861","url":null,"abstract":"<div><div>Considering the increasing energy demand and the geological risks associated with fossil fuels, this study investigates the potential of developing rigid and efficient perovskite solar cells (PSCs) by incorporating selenium-based back surface fields (BSFs) with barium-based active layers, specifically tribarium phosphorus trichloride (Ba₃PCl₃). The proposed structure examines Ba₃PCl₃, CdS, and various copper-based materials, including CIGSe, CISe, and CTSe, as the perovskite absorber layer (PAL), electron transport layer (ETL), and BSFs. A new PSC design was computationally modeled using the SCAPS-1D simulator, demonstrating a power conversion efficiency (PCE) increase to 31.18 % with CTSe as the BSF. The study evaluates the impact of layer thickness, defect density, and doping in the photoactive and ETL layers, as well as interface defect densities, on solar cell performance. Additionally, it assesses the effect of temperature on photovoltaic efficiency. In the baseline Cu/FTO/CdS/Ba₃PCl₃/Au structure, the recorded values for open-circuit voltage (V_OC), short-circuit current density (J_SC), PCE, and fill factor (FF) were 0.58 V, 47.20 mA/cm², 22.72 %, and 82.34 %, respectively. By incorporating a CTSe BSF layer in the Cu/FTO/CdS/Ba₃PCl₃/CTSe/Au configuration, these values improved to 0.82 V V_OC, 47.49 mA/cm² J_SC, 31.18 % PCE, and 80.03 % FF. The findings highlight the potential for cost-effective Ba₃PCl₃-based thin-film solar cells.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"206 ","pages":"Article 112861"},"PeriodicalIF":4.3,"publicationDate":"2025-05-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144106114","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":"Interface study of NbC (111) and diamond (111) based on first principles calculation","authors":"Xingzhi Pang ,&nbsp;Lang Su ,&nbsp;Weipei Qin ,&nbsp;Jianbing Yang ,&nbsp;Chengyu Liu ,&nbsp;Yongzhong Zhan ,&nbsp;Anmin Li ,&nbsp;Mingjun Pang ,&nbsp;Hong Jiang ,&nbsp;Zhiqi Zhai ,&nbsp;Hang Nong ,&nbsp;Yue Xiao","doi":"10.1016/j.jpcs.2025.112862","DOIUrl":"10.1016/j.jpcs.2025.112862","url":null,"abstract":"<div><div>In this study, first-principles calculations based on density functional theory (DFT) were employed to investigate the atomic structure and electronic properties of the NbC(111)/Diamond(111) interface, aiming to elucidate the influence of Nb elements on the interfacial characteristics of diamond. Two interface models are considered, representing the two different terminations of NbC. In this study, the atomic structure, adhesion work, interfacial energy and electronic properties of two stable configurations of NbC(111)/Diamond (111) interface were analyzed. The results reveal that the phonon frequencies of NbC and diamond overlap between 15 and 17.5 THz, suggesting stronger interfacial interaction in the C-terminated configuration. This is further supported by the higher adhesion energy (7.877 J/m²) and lower interfacial energy range (0.010–0.573 J/m²) observed for the C-terminated interface compared to the Nb-terminated one. Additionally, the electronic structure analysis indicates that the primary bond at the C-terminated interface is C–C covalent, whereas the Nb-terminated interface features an Nb–C covalent bond.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"206 ","pages":"Article 112862"},"PeriodicalIF":4.3,"publicationDate":"2025-05-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144098702","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":"Effect and regulation of pore defects on mechanical properties of graphene","authors":"Ying Liu,&nbsp;Jian-Gang Guo,&nbsp;Zhi-Na Zhao","doi":"10.1016/j.jpcs.2025.112870","DOIUrl":"10.1016/j.jpcs.2025.112870","url":null,"abstract":"<div><div>Defects are common in graphene. Through defects design, various properties of graphene can be optimized, improved and regulated, and the application scope of graphene can be expanded. In this paper, a new approach to tuning the mechanical properties of graphene by introducing pore defects is proposed. The effects of inter-pore distance, pore arrangement, defect unit size, and the proportion of pore defects on the mechanical properties of monolayer graphene were systematically studied by molecular dynamics simulation, and the microscopic mechanism was revealed by the theoretical model. Through the design of pore defects, the strength (32.5–78.4 GPa), failure strain (0.048–0.12), and elastic modulus (707.69–924.19 GPa) of graphene can be regulated within a wide range. Most notably, this work reveals how the transition of graphene from brittleness to plasticity can be achieved by defect arranged. When the pore defects are arranged longitudinally, with only one carbon ring between the pores, and connected in an armchair pattern, graphene exhibits a distinct plastic interval, achieving a brittle-plastic transition. It is also found that the regulation of plastic platform stress and plastic interval strain can be realized by adjusting the size and transverse proportion of the defects. This research, which discusses the tunability of graphene mechanical properties via the pore defects design, is a breakthrough in customizing two-dimensional materials, and also provides a reference for the application of graphene in supercapacitors, water purification, flexible electronics, and composite materials.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"206 ","pages":"Article 112870"},"PeriodicalIF":4.3,"publicationDate":"2025-05-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144088730","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":"Hydrothermally synthesized nickel cobalt layered double hydroxide for efficient oxygen evolution reaction and supercapacitor applications","authors":"P.S. Yadav ,&nbsp;N.S. Yadav ,&nbsp;S.D. Jituri ,&nbsp;K.B. Pisal ,&nbsp;Prashant B. Patil ,&nbsp;Sawanta S. Mali ,&nbsp;Jyoti V. Patil ,&nbsp;Chang Kook Hong ,&nbsp;Hyunsik Im ,&nbsp;Akbar I. Inamdar ,&nbsp;S.H. Mujawar","doi":"10.1016/j.jpcs.2025.112860","DOIUrl":"10.1016/j.jpcs.2025.112860","url":null,"abstract":"<div><div>As fossil fuels deplete and the global population grows, the demand for multifunctional materials has increased significantly. Electrode materials based on nickel (Ni) and cobalt (Co) have attracted considerable attention as multifunctional materials due to their abundance in the Earth's crust, cost-effectiveness, and environmentally friendly properties. Herein, we have synthesized nickel cobalt layered double hydroxide (NiCo LDH) thin film on nickel foam (NF) via a facile one-step hydrothermal method at different reaction times of 4, 8 and 12 h. The NiCo LDH thin films synthesized at 120 °C for 12 h exhibited a highest specific capacitance of 1454 F/g at a current rate of 2 mA/cm² in 1 M KOH electrolyte. It also showed capacitance retention of 62 % after 1000 charge-discharge cycles. Moreover, in case of oxygen evolution reaction (OER) activity, the overpotentials of electrodes fabricated at 8 and 12 h are very close (259 mV and 280 mV, <em>iR corrected</em>) at low current density (10 mA/cm²) whereas it is deviated at higher current range. Thus, the lower Tafel slope of 23 mV/dec of the NiCo LDH fabricated at 12 h is superior to that of the electrode fabricated at 8 h (38 mV/dec) suggesting faster reaction kinetics. It has excellent electrochemical stability of 30 h in alkaline electrolyte without much deviation of overpotential. This result suggests that NiCo LDH can serve as a potential candidate as a multifunctional electrode material for devices like supercapacitors and water electrolyzers.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"206 ","pages":"Article 112860"},"PeriodicalIF":4.3,"publicationDate":"2025-05-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144072488","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Enhanced magnetocaloric properties of Erbium and Aluminum co-doped HoCrO3 orthochromite compound: An experimental and DFT study","authors":"Jolaikha Sultana ,&nbsp;Jemma R. DeFeo ,&nbsp;Rajiv K. Chouhan ,&nbsp;Yenugonda Venkateswara ,&nbsp;Arjun K. Pathak ,&nbsp;Sanjay R. Mishra","doi":"10.1016/j.jpcs.2025.112856","DOIUrl":"10.1016/j.jpcs.2025.112856","url":null,"abstract":"<div><div>This study investigates the microstructural and magnetocaloric characteristics of three orthochromite compounds: HoCrO₃, Ho_0.67Er_0.33CrO₃, and Ho_0.67Er_0.33Cr_0.5Al_0.5O₃, synthesized via a sol-gel autocombustion method. X-ray diffraction confirmed a pure orthorhombic <em>Pbnm</em> structure in all samples. Replacing Ho³⁺ with Er³⁺ leads to a slight decrease in lattice constants due to their similar ionic radii. Substituting Cr³⁺ with the smaller Al³⁺ ion further reduces lattice parameters and unit cell volume. Density functional theory (DFT) calculations indicated that the G-type Antiferromagnetic (AFM-G) configuration is energetically stable for Ho_0.75Er_0.25CrO₃ and HoCrO₃, whereas the A-type Antiferromagnetic (AFM-A) configuration is the lowest energy state for Ho_0.75Er_0.25Cr_0.5Al_0.5O₃. The energy difference between the most stable configuration and ferromagnetic configurations for Ho_0.75Er_0.25Cr_0.5Al_0.5O₃, Ho_0.75Er_0.25CrO_3, and HoCrO₃ is 76.26, 251.07, and 235.42 meV/cell, respectively. It should be noted that adding Al³⁺ to the Cr³⁺ site significantly reduces the total energy gap (E_AFM – E_FM) in the HoCrO₃ compound. This substitution also modified the Cr³⁺-O^2--Cr³⁺ bond angles and lengths, thereby affecting the magnetic and magnetocaloric characteristics of the materials. Temperature-dependent magnetization measurements indicated a reduction in the magnetic transition temperature because of doping, with temperatures decreasing from 141 K for HoCrO₃ to 136 K for Ho_0.67Er_0.33CrO₃ and 120 K for Ho_0.67Er_0.33Cr_0.5Al_0.5O₃. The maximum magnetic entropy change, <em>−ΔS</em>_<em>m</em>, determined from magnetic isotherms, increased with the substitution of Er³⁺ and Al³⁺. The <em>−ΔS</em>_<em>m</em> observed for HoCrO₃, Ho_0.67Er_0.33CrO_3, and Ho_0.67Er_0.33Cr_0.5Al_0.5O₃ was 6.46 Jkg⁻¹K⁻¹, 8.04 Jkg⁻¹K⁻¹, and 9.69 Jkg⁻¹K⁻¹, respectively at a 5T applied field, representing a 30 % enhancement in <em>−ΔS</em>_<em>m</em> for Ho_0.67Er_0.33Cr_0.5Al_0.5O₃ compared to the pure HoCrO₃ compound.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"206 ","pages":"Article 112856"},"PeriodicalIF":4.3,"publicationDate":"2025-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144070270","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":"Phase transition dynamics and Dielectric relaxations in orientationally disordered crystal: A study of Cyclohexene oxide","authors":"Nighil Nath M P ,&nbsp;Mohamed Shahin Thayyil ,&nbsp;Aboothahir Afzal","doi":"10.1016/j.jpcs.2025.112839","DOIUrl":"10.1016/j.jpcs.2025.112839","url":null,"abstract":"<div><div>Cyclohexene oxide (CHO) has emerged as a compelling candidate for the investigation of phase behavior and dielectric relaxation due to its rare ability to form multiple plastic crystalline phases. Plastic crystals, characterized by translational order and orientational disorder, offer a unique platform for exploring molecular dynamics, particularly in systems that exhibit both solid–solid and solid–liquid transitions. Despite its promising features, CHO remains relatively underexplored in the literature, especially concerning its dielectric properties and relaxation dynamics. Its high dielectric conductivity, while analytically challenging, provides an ideal testbed for advanced interpretative frameworks such as the electric modulus formalism and Havriliak-Negami modeling. The presence of distinct α- and secondary relaxations, including a non-Johari–Goldstein process, as well as the ability to calculate meaningful fragility indices for different phases, makes CHO a model system for studying glass-forming behavior and fragility contrasts. From a practical standpoint, materials exhibiting reversible phase transitions with thermal stability and complex dynamic behavior—such as CHO—hold considerable promise for thermal energy storage, solid-state cooling, and next-generation energy materials. This study seeks to bridge the knowledge gap by presenting a detailed thermal and broadband dielectric spectroscopic (BDS) analysis of CHO in supercooled liquid and glassy phases, thereby enriching the scientific understanding of plastic crystalline materials and supporting their potential technological applications.Two distinct plastic crystalline phases and a glassy phase were identified in CHO and were characterised by dielectric studies. The reversibility of these transitions found in CHO enable it for thermal storage application, which throws light for researchers and industries.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"207 ","pages":"Article 112839"},"PeriodicalIF":4.3,"publicationDate":"2025-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144134489","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":"Mixed ionic-electronic conduit of Ca2+ confined by two-dimensional multicomponent boron-carbon layers","authors":"Yang Lv,&nbsp;Jianfu Li,&nbsp;Zhaobin Zhang,&nbsp;Yong Liu,&nbsp;Jianan Yuan,&nbsp;Jiani Lin,&nbsp;Xiaoli Wang","doi":"10.1016/j.jpcs.2025.112842","DOIUrl":"10.1016/j.jpcs.2025.112842","url":null,"abstract":"<div><div>Mixed ionic-electronic conductor (MIEC) materials have widespread applications in fuel cells, all-solid-state battery electrode interface modification materials, and memory devices. Here, we reveal the two-dimensional superionic conduction between graphene-like B–C layers in the Ca–B–C (Ca₂BC₁₁, CaBC₅, CaB₂C₄, and CaB₃C₃) compounds. Through molecular dynamics simulations driven by high-precision machine learning potentials, which can be tuned within the range of 900–2100 K with defect concentrations as high as 4.8 %. We discovered that the vacancy mechanism between the hexagonal prism drives its superionic diffusion. The ratio of B and C within the framework can modify the covalent (ICOHP) and ionic (Bader) interactions between the compound and Ca²⁺, along with the interlayer spacing, thereby significantly influencing the superionic transition temperature. Furthermore, the superionic behavior across multiple phases obviates the need for synthesizing pure-phase materials. With excellent thermal and mechanical stability, these compounds of varying compositions are prospective candidates for high-temperature-resistant electrodes and interface enhancement materials and possess potential applications in many extreme conditions.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"206 ","pages":"Article 112842"},"PeriodicalIF":4.3,"publicationDate":"2025-05-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144072489","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":"Preparation of NiCoFeMnCrV high entropy alloy and its efficient electrocatalytic performance in water splitting","authors":"ZiHan Yang ,&nbsp;ZhongKe Luo ,&nbsp;Chao Wang","doi":"10.1016/j.jpcs.2025.112846","DOIUrl":"10.1016/j.jpcs.2025.112846","url":null,"abstract":"<div><div>The global energy crisis and the intensification of environmental pollution make the development of sustainable green energy highly valued. Hydrogen has attracted much attention as one of the alternatives to traditional fossil fuels in the future.On this basis, preparing highly active and stable electrocatalysts to meet the need for efficient water decomposition is of great significance for achieving abundant hydrogen production, but it is still challenging to achieve this goal due to the slow kinetics of oxygen evolution reaction (OER).We carried out such experiments and proposed that NiCoFeMnCrV catalyst co-constructed on nickel foam (NF) with vanadium vacancy can effectively improve electron and ion transport, effectively improve the structural stability, and achieve efficient water cracking work. The prepared NiCoFeMnCrV catalyst showed excellent OER and HER activities. At 10 mA‧cm⁻², the overpotential of OER and HER are 225 and 126 mV respectively, and the catalyst could stand up to the long-term durability test for 60h. Construct an overall water splitting electrolysis bath by using the NiCoFeMnCrV as the electrocatalyst for both anode and cathode, it takes only 1.5V to reach 10 mA cm⁻² in alkaline water, the practical application prospect of high efficiency water electrolysis is shown. This study provides an effective means for the preparation of catalysts with metal vacancy to achieve efficient integral water cracking.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"206 ","pages":"Article 112846"},"PeriodicalIF":4.3,"publicationDate":"2025-05-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144088725","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}