Materials Science in Semiconductor Processing最新文献

{"title":"First principles computation of exchange mechanism, radiation shielding, and physical properties of FeCu2SnX4(X=S, Se, Te): Transitions metal based chalcogenides for spintronic and energy storage system applications","authors":"Shahzad Sohail ,&nbsp;Muhammad Irfan ,&nbsp;Quratul Ain ,&nbsp;Fatma A. Ibrahim ,&nbsp;Mohamed S. Hamdy ,&nbsp;Shams A.M. Issa ,&nbsp;Hesham M.H. Zakaly","doi":"10.1016/j.mssp.2025.109303","DOIUrl":"10.1016/j.mssp.2025.109303","url":null,"abstract":"<div><div>This study explores the multifunctional properties of Cu-based FeCu₂SnX₄(X = S, Se, Te) through density functional theory (DFT) calculations, focusing on their ferromagnetic stability, optical behavior, and thermoelectric performance. Phonon dispersions and negative formation energy values validated the stability of the ferromagnetic phase of all the investigated spinels. Band structure analysis confirmed semiconducting characteristics for both spin channels, while exchange splitting energies obtained from the density of states (DOS) were used to calculate exchange constants (N₀α and N_0β). The strong p-d hybridization, reflected in higher N_0β = −0.14, −0.18, and −0.16 and N_0α = 0.11, 0.29, and 0.35, indicated that the exchange field dominates the crystal field, driving ferromagnetism. Furthermore, p-d hybridization adjusted magnetic moments at Cu and Fe sites, showcasing tunable magnetic properties. Optical analysis in the 0–6 eV photon energy range revealed low light dispersion and refractive indices of 1–2 eV within the visible spectrum, suggesting potential for optoelectronic applications. Thermoelectric studies at 500 K demonstrated positive Seebeck coefficients for FeCu₂SnS₄ and FeCu₂SnSe₄, while FeCu₂SnTe₄ showed negative coefficients at room temperature. Power factors increased with temperature from X = S to Te, highlighting their potential for thermoelectric power generation. Furthermore, the radiation shielding assessment emphasized that FeCu₂SnTe₄ provides an HVL of a minimum of 0.18 cm at 0.015 MeV, which clearly explains gamma-ray absorption more than other samples. This information places FeCu₂SnX₄ spinel structures as potential candidates for applications that require combined magnetic, optical, radiation shielding, and energy functionalities. These findings position FeCu₂SnX₄ spinels as promising materials for integrated magnetic, optical, radiation shielding, and energy applications.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"190 ","pages":"Article 109303"},"PeriodicalIF":4.2,"publicationDate":"2025-01-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143152297","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Density functional theory based computation of the optoelectronic properties of double perovskites A2InAgBr6 (A= Na, Cs, Rb, and K) and their performance assessment as absorber for photovoltaic applications","authors":"Gagan Kumar ,&nbsp;Babban Kumar Ravidas ,&nbsp;Sagar Bhattarai ,&nbsp;Mukesh Kumar Roy ,&nbsp;Dip Prakash Samajdar","doi":"10.1016/j.mssp.2025.109269","DOIUrl":"10.1016/j.mssp.2025.109269","url":null,"abstract":"<div><div>Double perovskite (DP) halides have shown promising performance in photovoltaic (PV) and thermoelectric technologies. In the current work, the WIEN2K software is utilized to implement first-principles calculations on the absorber material A₂InAgBr₆ (where A stands for Cs, Rb, K, and Na) to compute its structural and optoelectronic properties. Furthermore, SCAPS-1D is utilized to evaluate the PV parameters of the n-i-p configuration of perovskite (PVSK) solar cell (PSC) configuration (FTO/ETL/A₂InAgBr₆/HTL/Au) with PEDOT: PSS as HTL (hole transport layer) and TiO₂ as the ETL (electron transport layer). PBE-GGA + TB-mBJ exchange-correlation potential method is utilized for the computations. The direct bandgaps (E_g) of Na₂InAgBr₆ (1.87 eV), K₂InAgBr₆ (1.81 eV), Rb₂InAgBr₆ (1.75 eV), and Cs₂InAgBr₆ (1.76 eV) is obtained by TB-mBJ potential. The optical characteristics of A₂InAgBr₆ are computed to understand its potential for PV applications, correlating them with the electronic characteristics. DFT-calculated properties of A₂InAgBr₆ DP are utilized as inputs in SCAPS-1D for simulation. The thickness of PVSK (t) and defect density (N_t) are usually considered while optimizing PSC performance using SCAPS-1D. A notable maximum power conversion efficiency (PCE) of 19.80 % with a short-circuit current density (J_sc) of 20.13 mA/cm², an open-circuit voltage (V_oc) of 1.22 V, and a fill factor (FF) of 79.78 %, is achieved with the structure FTO/TiO₂/Cs₂InAgBr₆/PEDOT: PSS/Au. This study is focused on the performance assessment of some relatively new DP halide structures using a combination of DFT as well as the SCAPS-1D calculation to find alternatives to the efficient lead-free PVSK absorber materials.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"190 ","pages":"Article 109269"},"PeriodicalIF":4.2,"publicationDate":"2025-01-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143152282","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Spray-deposited EuOCl film for spectral shifters applications in silicon photovoltaic technology","authors":"Juan José Peinado Pérez ,&nbsp;Francisco Martín Jiménez ,&nbsp;María Cruz López Escalante","doi":"10.1016/j.mssp.2025.109311","DOIUrl":"10.1016/j.mssp.2025.109311","url":null,"abstract":"<div><div>Rare-earth oxhyhalides have great potential due to their unique 4f electronic configuration, which provides them interesting luminescent properties. Among all the possibilities, EuOCl is attracting a lot of attention because it can be stable in divalent and trivalent states providing the possibility to manage the light emission effectively. This opens up the opportunity to apply EuOCl films as spectral shifter in silicon photovoltaic technology to improve the device output power. Our study demonstrates that it is possible to prepare EuOCl films using spray pyrolysis technique and apply them as a spectral shifter to produce an relative power output improvement of 16.8 %.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"190 ","pages":"Article 109311"},"PeriodicalIF":4.2,"publicationDate":"2025-01-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143152264","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Effects of ion channelling on 350 keV proton implantation of 4H-SiC measured by D-SIMS and DLTS defect profiling","authors":"Orazio Samperi ,&nbsp;Alexander Azarov ,&nbsp;Viktor Bobal ,&nbsp;Mario Bertolini ,&nbsp;Massimiliano Cantiano ,&nbsp;Lasse Vines ,&nbsp;Anders Hallén ,&nbsp;Salvo Coffa ,&nbsp;Maria Elena Fragalà","doi":"10.1016/j.mssp.2025.109320","DOIUrl":"10.1016/j.mssp.2025.109320","url":null,"abstract":"<div><div>Channelling can have a profound effect on both the defect formation and the distribution of implanted atoms in crystalline materials. This holds particularly for SiC, where channelling effects are well known for conventional dopant impurities. In contrast, channelling effects for protons in SiC are much less studied, despite H is known to be a promising element for defect engineering in power device applications as well as quantum technologies. In this study, the effects of ion channelling on the depth distribution of medium energy proton implants in epitaxial 4H-SiC were investigated. N-type 4H-SiC epilayers, grown on the <span><math><mrow><mo>(</mo><mn>0001</mn><mo>)</mo></mrow></math></span> plane, were implanted with 350 keV protons to low (5e9 cm⁻²) and medium (6e14 cm⁻²) doses, with beam alignment ranging from 0° to 7° off the <span><math><mrow><mo>[</mo><mn>0001</mn><mo>]</mo></mrow></math></span> orientation towards the <span><math><mrow><mo>[</mo><mrow><mn>11</mn><mover><mn>2</mn><mo>‾</mo></mover><mn>0</mn></mrow><mo>]</mo></mrow></math></span> direction. The samples were measured by a combination of deep level transient spectroscopy (DLTS) and dynamic secondary ion mass spectrometry (D-SIMS), to reveal the role of ion channelling on the generation of defects and the distribution of implanted H. The experimental profiles were also compared to Monte Carlo binary collision approximation (MC-BCA) simulations. These measurements show that channelling implantation of protons in high quality epitaxial 4H-SiC can be used for discrete profile shape adjustments and peak depth control by playing with the beam alignment conditions, thus representing a valuable means for high precision localized in-depth control of electrically active defects.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"190 ","pages":"Article 109320"},"PeriodicalIF":4.2,"publicationDate":"2025-01-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143152300","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Thermal droop minimization and simulation of opto-electronic properties in blue InGaN/GaN Ga-polar and N-polar tunnel junction nanowire LEDs","authors":"Samadrita Das ,&nbsp;Trupti Ranjan Lenka ,&nbsp;Fazal Ahmed Talukdar ,&nbsp;Hieu Pham Trung Nguyen","doi":"10.1016/j.mssp.2025.109326","DOIUrl":"10.1016/j.mssp.2025.109326","url":null,"abstract":"<div><div>From the past research results, it is evident that high-energy blue emission requires higher applied voltage in a blue nanowire light-emitting diode (LED) due to which difficulties such as self-heating and poor efficiency are developed. While designing a nanowire LED with III-nitride materials, the radiative recombination rate is reduced as the internal field of polarization inside the existing Ga-polar LEDs will tilt the energy band. But with the involvement of N-polar characteristics, the polarization field direction is reversed which eventually brings higher efficiency and lower turn-on voltage across the wavelength range. The subject of this work is to design and simulate an N-polar tunnel junction (TJ) blue nanowire LED to obtain better thermal as well as opto-electronic performances with minimal turn-on voltage. Moreover, TJ-LEDs show linear increases in light output powers (LOP) with varying current densities due to lower Auger recombination rates in their multi-quantum wells (MQWs). Within a temperature range of 30–150 <span><math><mrow><mo>°C</mo></mrow></math></span>, the proposed device obtains a lower thermal droop of 5.2 % at a current density of 40 A/cm² which is <span><math><mrow><mo>∼</mo></mrow></math></span> 2.2 times less than the conventional one.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"190 ","pages":"Article 109326"},"PeriodicalIF":4.2,"publicationDate":"2025-01-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143152265","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"DFT study on the nature of interaction of ionic liquids with self-assembled belt[14]pyridine","authors":"Annum Ahsan ,&nbsp;Malai Haniti Sheikh Abdul Hamid ,&nbsp;Imene Bayach ,&nbsp;Nadeem S. Sheikh ,&nbsp;Muhammad Umair Ashraf ,&nbsp;Muhammad Yar ,&nbsp;Khurshid Ayub","doi":"10.1016/j.mssp.2025.109308","DOIUrl":"10.1016/j.mssp.2025.109308","url":null,"abstract":"<div><div>Ionic liquids (ILs) are salts (which exist in liquid state) with numerous unique characteristics having extensive applications in various fields. However, there are constraints to their widespread usage in various applications due to comparatively high viscosity resulting in their slow mass transfer rates. To cope with this problem, encapsulation of ILs has been proved to be advantageous. Herein, an absolutely new approach for encapsulation of ILs is studied. We have studied the self-assembly of nitrogen-based belt[14]pyridine units (BP) resulting into generation of self-assembled nanotubes for the purpose of encapsulation of ILs. The assembly of these belts is a thermodynamically viable process which is proved through interaction energy (E_int) value equal to −87.26 kcal/mol. After the successful assembly of belt units, three different ILs <em>i.e.,</em> tetramethylammonium chloride (TMACl), methylpyridinium hexafluorophosphate (MPHP) and 1,3-dimethylimidazolium chloride (MIMCl) have been encapsulated separately inside the cavity with E_int ranging from −50.65 to −66.96 kcal/mol. The successful transfer of charge showing strong interactions between BP and ILs has been studied through natural bond orbital (NBO) analysis which is validated further through electron density differences (EDD) analysis. In addition, the type of interactions involved in encapsulating ILs inside BP's cavity and strength of these interactions is studied through NCI and QTAIM analysis. Both QTAIM and NCI analyses show that van der Waals forces stabilize ionic liquids inside BP cavity. Comparison shows the best results for MPHP encapsulation inside BP <em>i.e.,</em> the highest interaction energy, the more transfer of charge and the stronger forces of interactions. Additionally, dynamical stability of assembled belt[14]pyridine units after introduction of ionic liquids into the cavity are studied through AIMD, ab initio molecular dynamics analysis. The results show that belts in assembled form are suitable for ionic liquids' encapsulation. We hope that the new assembled belt[14]pyridine based ENIL systems will be applicable in an expansive array of different fields.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"190 ","pages":"Article 109308"},"PeriodicalIF":4.2,"publicationDate":"2025-01-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143152294","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Resolving performance reliability issues in BiFeO3 domain wall memories","authors":"Dongfang Chen ,&nbsp;Jianwei Lian ,&nbsp;Chao Wang ,&nbsp;Jun Jiang","doi":"10.1016/j.mssp.2025.109321","DOIUrl":"10.1016/j.mssp.2025.109321","url":null,"abstract":"<div><div>The commercialization of high-density ferroelectric domain wall memory has been hindered by reliability challenges, including fatigue and retention loss. In this study, we addressed these issues using prototype domain wall memories fabricated from epitaxial BiFeO₃(110) thin films. The vertical SrRuO₃/BiFeO₃/SrRuO₃ devices showed inconsistent resistive switching behavior during electric cycling due to the susceptible fatigue of the ferroelectric thin film. This susceptibility stems from domain fragmentation, coupled with the formation of various domain walls, resulting in the reduction of switchable polarization. On this basis, planar Pt/BiFeO₃/Pt nanodevices were proposed to resolve this issue, as the created local 71° domain walls in the thin film can be easily eliminated by the electric field with the assistance of the elastic interaction in the domain boundary. Our investigation revealed that space-charge-limited conduction mechanism governed the electrical conduction in the nanodevices, with the current rectification ratio displaying greater insensitivity to electrical cycling compared to vertical devices. Moreover, with the controlled interfacial charge injection through alternating voltage pulse cycling, the polarization retention was improved in electrode gap-reduced nanodevices along with the diminished influence of the depolarization field arising at the artificial domain wall region. We achieved performance-optimized BiFeO₃ nanodevices characterized by exceptional retention and fatigue properties, simultaneously delivering a high current rectification ratio of 100:1.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"190 ","pages":"Article 109321"},"PeriodicalIF":4.2,"publicationDate":"2025-01-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143152295","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Unraveling the charge carriers conduction mechanism and dielectric properties of Sm2CuMnO6 double perovskite","authors":"Sk. Anirban ,&nbsp;Rajdip Roy ,&nbsp;Rosni Roy ,&nbsp;Rajib Mondal ,&nbsp;Samarendra Nath Saha ,&nbsp;Purna Chandra Barman","doi":"10.1016/j.mssp.2025.109313","DOIUrl":"10.1016/j.mssp.2025.109313","url":null,"abstract":"<div><div>This study investigates the dielectric relaxation and charge transport properties of Sm₂CuMnO₆ double perovskite, synthesized using the auto-combustion method. The material exhibits a monoclinic crystal structure and its charge transport mechanism follows Mott's three-dimensional variable range hopping model and the correlated barrier hopping model. Above 256.82 K, the hopping mechanism is consistent with the small polaron hopping model, with a non-adiabatic mechanism. The material shows semiconductor to metal and metal to semiconductor transitions, with transition temperatures dependent on frequency. Dielectric relaxation is observed due to grain and grain boundary contributions, with activation energy values of 0.40 eV, 0.17 eV, and 0.11 eV in high, mid, and low temperature regions, respectively. The study confirms the association between dielectric relaxations and charge transport properties, revealing the relaxor ferroelectric nature of Sm₂CuMnO₆.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"190 ","pages":"Article 109313"},"PeriodicalIF":4.2,"publicationDate":"2025-01-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143152299","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"First-principles investigation of the physical properties of wide band gap hexagonal AlPO4 compound for possible applications","authors":"A.S.M. Muhasin Reza,&nbsp;Md Asif Afzal,&nbsp;S.H. Naqib","doi":"10.1016/j.mssp.2025.109322","DOIUrl":"10.1016/j.mssp.2025.109322","url":null,"abstract":"<div><div>AlPO₄ belongs to the berlinite quartz type family and is a ternary wide band gap semiconductor. The structure of AlPO₄ is hexagonal with space group 152 (<em>P</em>3₁21). In this study, using density functional theory (DFT), we have investigated the bulk physical properties (structural, electronic band structure, elastic properties, thermal properties, optical properties and bonding features) of AlPO₄ compound. The optimized structural parameters are very close to previous experimental and theoretical results. The elastic constants indicate that AlPO₄ is mechanically stable and brittle in nature. The compound is moderately hard and possesses a low machinability index (<em>μ</em>_M = 0.54). AlPO₄ contains significant mechanical anisotropy. A positive value of tetragonal shear modulus indicates the dynamical stability of this crystal. The charge density distribution, bond population analysis, Vickers hardness, thermo-mechanical and optical properties have been investigated theoretically for the first time. The values of Pugh's ratio and Poisson's ratio revealed the brittleness of the compounds associated with strong directional covalent bonds with a mixture of ionic contributions. From the bond population analysis the bonding character is also found to be mixed with ionic and covalent characters. The thermal conductivity of the compound is low (∼0.54 W/m.K at high temperatures). The electronic band structure calculations reveal clear insulating behavior with a band gap of ∼6.0 eV. Band structure calculations were carried out without and with spin-orbit coupling (SOC) to explore possible topological signature. The energy dependent optical properties conform to the electronic band structure calculations. Major optical properties like dielectric functions, refractive index, photoconductivity, absorption coefficient, loss function and reflectivity are calculated and discussed in detail in this study. The optical anisotropy of AlPO₄ is quite low. It is an efficient absorber of the ultraviolet light. In contrast, in the visible region, the reflectivity is very low (∼4 %). Possible sectors of applications of AlPO₄ have been explored.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"190 ","pages":"Article 109322"},"PeriodicalIF":4.2,"publicationDate":"2025-01-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143152290","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"In-situ identification and dynamic transformation of FeOOH with different phases for oxygen evolution reaction","authors":"Ze-Feng Xu,&nbsp;Chuan-Wu Chen,&nbsp;Ya-Nan Jing,&nbsp;Da-Qiang Liu,&nbsp;Lei-Lei Li,&nbsp;Xing-Liang Yin","doi":"10.1016/j.mssp.2025.109319","DOIUrl":"10.1016/j.mssp.2025.109319","url":null,"abstract":"<div><div>Iron(III) oxyhydroxide (FeOOH) is a highly promising non-precious metal oxygen evolution reaction (OER) catalyst due to its abundance, cost-effectiveness, and favorable electrochemical characteristics. Nevertheless, its low electrical conductivity and sluggish OER kinetics pose significant challenges for practical applications. OER typically occurs through the adsorbed evolution mechanism (AEM), involving multiple proton-coupled electron transfer steps with higher theoretical overpotential requirements. In contrast, the lattice oxygen mechanism (LOM) facilitates oxygen generation through direct coupling of the O−O bond, potentially circumventing the thermodynamic constraints inherent in AEM. In this study, an effective ion exchange between small-sized anions with large dipole moments and chloride ions residing within the tunnels of β-FeOOH was successfully achieved through phase-induced oxygen defect engineering. The experimental findings demonstrate that the synthesized α/β-FeOOH with high-density oxygen vacancy (O_V) exhibits enhanced lattice oxygen redox reactivity, expedited OER kinetics, and reduced thermodynamic barriers. Those improvements are ascribed to the activation of lattice oxygen within FeOOH, which has triggered a transition in its OER mechanism from AEM to LOM. Further investigations suggest that elevated reaction temperatures, within an appropriate range, foster ion exchange in β-FeOOH channels and actively encourage the creation of O_V in FeOOH. That dynamic behavior transition of FeOOH enables it to overcome the inherent thermodynamic limitations of the AEM, resulting in a remarkable enhancement of its intrinsic OER activity. Remarkably, this improvement is achieved without relying on additional co-catalysts, which is expected to promote the understanding of intrinsic kinetic alterations in FeOOH electrocatalysts.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"190 ","pages":"Article 109319"},"PeriodicalIF":4.2,"publicationDate":"2025-01-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143152293","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}