Materials and Energy Research Center (MERC)
Iranian Ceramic Society (ICERS)Advanced Ceramics Progress2423-747712220260401Unveiling Lithium-ion Migration Mechanisms in Anti-perovskite Solid Electrolytes: A Combined EIS and EDS Study of Defect Dynamics11024704610.30501/acp.2026.584755.1198ENAbouzarMassoudiAssociate Professor, Department of Semiconductors, Materials and Energy Research Center (MERC), P.O. Box 14155/4777, Karaj, Iran.0000-0002-4203-7376Journal Article20260607Understanding the defect-mediated migration mechanisms in solid electrolytes is critical for optimizing lithium-ion conductivity. This study investigates Li⁺ transport in lithium halide hydroxide anti-perovskite materials by systematically correlating defect structures with electrochemical performance. Samples with controlled compositions of 〖"Li" 〗_2 ("OH" )_(1-x) "F" _x "Cl (x=0.005)" were synthesized to stabilize orthorhombic, cubic, and Ruddlesden–Popper (RP) structural phases. To investigate ion transport mechanisms and elemental shifts during thermal cycling, EIS and EDS techniques were employed. EIS analysis revealed distinct activation energies associated with specific migration mechanisms: low-temperature transport in the RP and cubic phases was governed by Li⁺ vacancy or interstitial dumbbell migration, whereas high-temperature regimes were dominated by Schottky defect formation in LiCl or Li₂O. Complementary EDS findings indicated an increase in oxygen vacancies post-cycling, thereby corroborating the hypothesis regarding Schottky pair generation. Furthermore, high grain boundary resistance was attributed to excessive barriers arising from hydrogen-related defects. These findings provide a mechanistic framework for designing low-resistance solid-state electrolytes through the control of defect chemistry.https://www.acerp.ir/article_247046_cacefae317445b43403d04a5d6df42af.pdfMaterials and Energy Research Center (MERC)
Iranian Ceramic Society (ICERS)Advanced Ceramics Progress2423-747712220260401Development of a Binder-Free Nanoworm NiOOH/NiO Electrode for Supercapacitors Through Anodic Electrodeposition: The Role of SDS Surfactant112325266510.30501/acp.2026.598087.1207ENMahdiKazaziAssociate Professor, Department of Materials Engineering, Faculty of Engineering, Malayer University, P.O. Box 65719-95863, Malayer, Iran.Associate Professor, Department of Nanotechnology and Nanomaterials, Faculty of Interdisciplinary Science and Technology, Malayer University, P.O. Box 65719-95863, Malayer, Iran.0000-0002-2928-2545RezaMirzaieMSc, Department of Materials Engineering, Faculty of Engineering, Malayer University, P.O. Box 65719-95863, Malayer, Iran.MSc, Department of Nanotechnology and Nanomaterials, Faculty of Interdisciplinary Science and Technology, Malayer University, P.O. Box 65719-95863, Malayer, Iran.0009-0002-1476-6800AkramGanji GhelyjiMSc, Department of Materials Engineering, Faculty of Engineering, Malayer University, P.O. Box 65719-95863, Malayer, Iran.MSc, Department of Nanotechnology and Nanomaterials, Faculty of Interdisciplinary Science and Technology, Malayer University, P.O. Box 65719-95863, Malayer, Iran.0009-0008-8978-5866Journal Article20260820The increasing demand for environmentally sustainable energy solutions has driven rapid advances in the development of high-performance supercapacitors. In this study, a nickel oxyhydroxide/nickel oxide (NiOOH/NiO) electrode was fabricated via an electrodeposition method in the presence of SDS surfactant onto a nickel foam substrate, followed by thermal treatment. Structural and morphological characterizations using XRD, FTIR, and FE-SEM confirmed the successful formation of a porous NiOOH structure, with NiO present as a secondary phase. Electrochemical analyses revealed excellent pseudocapacitive behavior, low internal resistance, and a high specific capacitance of 1021 F g−1 at 1 A g−1. Moreover, the ion diffusion coefficient, calculated from the Warburg line in EIS measurements, was determined to be 4.51 × 10−12 cm2 s−1, which is significantly higher than that of the electrode fabricated without SDS surfactant (2.24 × 10−12 cm2 s−1), indicating enhanced ion transport facilitated by its porous architecture. The fabricated electrode maintained most of its electrochemical storage capability during prolonged operation, with 91.7% of the initial capacitance remaining following 2,000 consecutive charge–discharge cycles. Such durable cycling performance indicates that the electrode could be a promising option for use in future high-performance supercapacitor devices.https://www.acerp.ir/article_252665_258fbb71f899b115fe9dc9d1b716dc70.pdfMaterials and Energy Research Center (MERC)
Iranian Ceramic Society (ICERS)Advanced Ceramics Progress2423-747712220260401Magnetic Properties of Molybdenum- and Titanium-based MAX Phases: An Ab Initio Study243525207010.30501/acp.2026.596586.1205ENMaryamSirati-GohariPh.D. Candidate, Department of Materials Science and Engineering, School of Engineering, Shiraz University, Shiraz 7134851154, Iran.0000-0001-8363-0136SirusJavadpourProfessor, Department of Materials Science and Engineering, School of Engineering, Shiraz University, Shiraz 7134851154, Iran.0000-0003-3846-5682Mohammad MahdiKalantarianAssistant Professor, Department of Ceramic, Materials and Energy Research Center, Karaj, Iran.0000-0003-2105-1619AlimoradRashidiProfessor, Nanotechnology Research Center, Research Institute of Petroleum Industry (RIPI), Tehran, Iran.0000-0001-6753-1939TouradjEbadzadehProfessor, Department of Ceramic, Materials and Energy Research Center, Karaj, Iran.0000-0002-8008-1095Journal Article20260810Most calculations of MAX-phase electronic and mechanical properties begin with an unstated assumption: the material carries no magnetic moment, so spin polarization can be switched off from the first step. Usually, that assumption holds. It is not universal. A handful of MAX phases, once manganese or chromium enters the metal sublattice, develop a real, measurable magnetic moment, and once one family member is confirmed magnetic, the non-magnetic ground state of every other member stops being a safe default. This paper tests that assumption for six molybdenum- and titanium-based MAX phases studied together for the first time: Mo₂AlC, Mo₃AlC₂, Mo₄AlC₃, Ti₂AlC, Ti₃AlC₂, and Ti₄AlC₃. Three of these, Mo₃AlC₂, Mo₄AlC₃, and Ti₄AlC₃, have not previously been examined for magnetism. Using all-electron density functional theory, we compare spin-polarized and non-spin-polarized total energies, converged magnetic moments, and spin-resolved densities of states for every compound, and supplement these diagnostics with a quantitative Stoner-product estimate for every metal site. All lines of evidence agree, and none comes close to the ferromagnetic instability threshold. A parallel comparison against chromium, the M-site element closest to that threshold among early transition metals, throws the behavior of the six compounds into sharp relief. We then trace the answer to how the molybdenum 4d and titanium 3d bands differ from the manganese 3d band that supports magnetism in this family. This is a short paper with a simple message: verifying non-magnetism costs little compared with a full property calculation, and every other property computed for these compounds depends on this check.https://www.acerp.ir/article_252070_037b408f5393096e001475472ac83b38.pdf