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Öğe High-Performance Ag-Doped Na0.67MnO2 Cathode: Operando XRD Study and Full-Cell Performance Analysis with Presodiated Anode(Amer Chemical Soc, 2023) Kalyoncuoglu, Burcu; Ozgul, Metin; Altundag, Sebahat; Altin, Emine; Moeez, Iqra; Chung, Kyung Yoon; Arshad, MuhammadThe key challenges of Na-ion batteries are to design structurally stable electrodes and reach high-enough capacities with full-cells. In this study, we report the positive effects of Ag substitution/addition to Na0.67MnO2. We determined that some of the intended Ag was incorporated into the structure, while the rest remained in metallic form. Ag substitution/addition increases the capacity (208 mA h/g at C/3 rate) and improves the cycle life of Na0.67MnO2 (42% capacity fade with 100 cycles) in half-cells. We attribute these results to an enlarged interlayer spacing due to the large ionic radius of Ag, a suppressed Jahn-Teller effect due to the reduced number of Mn3+ ions, and an increased electrical conductivity due to the presence of metallic Ag. We also produced full-cells with an electrochemically presodiated hard carbon anode. We reached a very high initial capacity of 190 mA h/g at the C/3 rate, showing that Ag substituted/added Na0.67MnO2 is a promising candidate for commercialization of Na-ion batteries.Öğe High-Performance Full Sodium Cells Based on MgO-Treated P2-Type Na0.67(Mn0.5Fe0.5)1-xCoxO2 Cathodes(Mdpi, 2023) Taskiran, Nermin; Altundag, Sebahat; Koleva, Violeta; Altin, Emine; Arshad, Muhammad; Avci, Sevda; Ates, Mehmet NurullahHerein, we design a cathode material based on layered Na-2/3(Mn1/2Fe1/2)O-2 for practical application by combining the Co substitution and MgO treatment strategies. The oxides are prepared via solid-state reactions at 900 degrees C. The structure, morphology, and oxidation state of transition metal ions for Co-substituted and MgO-treated oxides are carefully examined via X-ray diffraction, IR and Raman spectroscopies, FESEM with EDX, specific surface area measurement, and XPS spectroscopy. The ability of oxides to store sodium reversibly is analyzed within a temperature range of 10 to 50 degrees C via CV experiments, galvanostatic measurements, and EIS, using half and full sodium ion cells. The changes in the local structure and oxidation state of transition metal ions during Na+ intercalation are monitored via operando XAS experiments. It is found that the Co substituents have a positive impact on the rate capability of layered oxides, while Mg additives lead to a strong increase in the capacity and an enhancement of the cycling stability. Thus, the highest capacity is obtained for 2 at.%-MgO-treated Na-2/3(Mn1/2Fe1/2)(0.9)Co0.1O2 (175 mAh/g, with a capacity fade of 28% after 100 cycles). In comparison with Co substituents, the Mg treatment has a crucial role in the improvement of the lattice stability during the cycling process. The best electrode materials, with a chemical formula of 2 at.%-MgO treated Na-2/3(Mn1/2Fe1/2)(0.9)Co0.1O2, were also used for the full cells design, with hard carbon as an anode. In the voltage window of 2-4 V, the capacity of the cells was obtained as 78 mAh/g and 51 mAh/g for applied current densities of 12 mA/g and 60 mA/g, respectively.Öğe Investigation of structural and electrochemical performance of Ru-substituted LiFePO4 cathode material: an improvement of the capacity and rate performance(Springer, 2022) Yolun, Abdurrahman; Altin, Emine; Altundag, Sebahat; Arshad, Muhammad; Abbas, Syed Mustansar; Altin, SerdarLiRuxFe1-xPO4 (where x = 0.01-0.12) samples are successfully fabricated by conventional solid-state reaction technique and the structural properties are analyzed by X-ray diffraction (XRD), scanning electron microscopy (SEM), and fourier transform infrared spectroscopy (FTIR) measurements. The XRD analysis shows that the minor impurity phases of RuO2 and LiRuO2 are observed for x >= 0.05 samples. Furthermore, the lattice volume is decreased with increasing Ru-content in the structure. The Ru-substituted battery cells exhibit similar cycling voltammetry (CV) data with the unsubstituted LiFePO4 battery cells. According to the charging/discharging cycles measurements for C/3-rate, the best capacity (147.58 mAh g(-1)) is obtained for LiFe0.93Ru0.07PO4 with a capacity fade of 0.0084 per cycle. It is found that Ru-substituted LiFePO4 has maximum C-rate when we analogize with the pristine LiFePO4 and the battery cycling performance is investigated for 4 C-rate up to 100 cycles and 3 and 4 C-rate up to 1000 cycles and it is found that Ru-substituted LiFePO4 exhibits excellent electrochemical performance such as 122, 84.5, and 53.1 mAh g(-1) for 1st, 500th, and 1000th cycles at 4 C-rate.Öğe Production of V-Doped P2-type Na0.67Mn0.5Fe0.43Al0.07O2 Cathodes and Investigation of Na-Ion Full Cells Performance(Wiley-V C H Verlag Gmbh, 2024) Dogan, Ebru; Altundag, Sebahat; Altin, Serdar; Arshad, Muhammad; Balci, Esra; Altin, EmineThe Na0.67Mn0.5Fe0.43Al0.07O2(x = 0-0.1) samples are successfully produced and their structural properties are investigated by common techniques. The highest surface area is found as 4.94 m(2) g(-1) for x = 0.04 V by the Brunauer-Elmet-Teller analysis. According to X-ray photoelectron spectroscopy of x = 0.04 V-doped sample,V4+, and V5+ ions are formed in the structure. The main phase is observed as P63/mmc symmetry with an impurity phase of V6O13 for x >= 0.06 . According to the CV analysis, while the redox voltage decreases for the Mn3+/Mn4+ , the intensity of the peaks of Fe2+/Fe3+ redox reaction decreases. While the best capacity value of the half cells at C/3-rate is obtained as 171 mAh g(-1) for x = 0.04, the lowest capacity fade is found for x = 0.08 . It is mentioned the V6O13 may contribute to the electrochemical process . The galvanostatic tests are investigated for the voltage windows of 3.5-1.5, 4-1.5, 4-2.5, 4-2, and 4-2.5 V and it is seen that the battery cells for 3.5-1.5 V have the best capacity fade (6%) among the others. The Na0.67Mn0.5Fe0.43Al0.07O2/ hard carbon is used for the full cells with presodiated anode and the first capacity value of the full cell is obtained as 80.2 mAh g(-1) for C/2-rate.Öğe Validating superior electrochemical properties of Ti3C2 MXene for supercapacitor applications through first-principles calculations(Royal Soc Chemistry, 2024) Irfan, Sheheera; Haleem, Yasir A.; Usman, Muhammad; Ahmad, Naseeb; Arshad, Muhammad; Irshad, Muhammad Imran; Saleem, Muhammad FarooqThis work explores the characteristics of two-dimensional (2D) titanium carbide (Ti3C2 MXene) and utilizes first-principles study to weigh its potential for supercapacitor applications. Scanning electron microscopy images confirm the layered morphology of the MXene, and energy-dispersive X-ray spectroscopy (EDX) analysis supports the extraction of aluminum from the MAX phase. Fourier-transform infrared (FTIR) spectroscopy confirms the presence of oxygen-based functional groups on the surface of the MXene and X-ray diffraction (XRD) patterns validate its hexagonal crystalline structure. Cyclic voltammetry (CV) analysis reveals the presence of redox peaks, indicating the pseudocapacitive behaviour of the fabricated electrode. Additionally, galvanostatic charge-discharge (GCD) measurements yield a calculated specific capacitance of 370 F g(-1). Electrochemical impedance spectroscopy (EIS) substantiates the low impedance resulting from the layered structure via the adequate adsorption/desorption of cations. The utilization of first-principles density functional theory (DFT) calculations reveals the merging of conduction and valence bands, signifying effective conductivity. Both the total and partial density of states cross the Fermi level, indicating a highly efficient charge mobility process. The combination of prominent surface redox reactions and excellent conductivity contributes to the superior specific capacitance of the fabricated electrode. Overall, these results highlight the excellent electrochemical properties of the Ti3C2 MXene electrode, declaring it as a promising candidate for supercapacitor applications.