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    Tuning the electrochemical performance of a copper-based 2D rectangular layered metal organic framework by incorporating reduced graphene oxide and polyaniline
    (Royal Soc Chemistry, 2026) Riasat, Madiha; Shahbaz, Muhammad; Ullah, Ghulam; Mushtaq, Muhammad Waheed; Saeed, Maham; Shahzad, Sundas; Shahzad, Ayesha
    To meet the challenge of developing efficient energy storage devices, metal organic frameworks (MOFs) with intrinsic properties have emerged as promising candidates. The conductivity and stability of the extended 1D pi-d and pi-pi stacking in a 2D MOF can be further enhanced by fabricating its composite with conductive materials. Herein, a nitrogen-containing 2D Cu-PDA MOF was synthesized and mixed with conductive materials, such as reduced graphene oxide (rGO) and polyaniline (PANI), to enhance the electrical conductivity. After structural investigation, the electrochemical attributes of Cu-PDA and its composites (Cu-PDA@rGO and Cu-PDA@PANI) have been explored by utilizing different electroanalytical techniques like CV, GCD and EIS analyses. In a three-electrode assembly, Cu-PDA@rGO shows a specific capacity of 551.31 C g-1. Hence, for practical applications, a hybrid supercapacitor has been designed by fabricating Cu-PDA@rGO against activated carbon (AC), which reveals a specific capacity of 159.4 C g-1, a specific energy of 32.10 Wh kg-1 and a specific power of 180.17 W kg-1 while maintaining a coulombic efficiency of 99.4% even after 5000 GCD cycles. These excellent findings demonstrate that Cu-PDA@rGO is a potential candidate for future energy storage devices.
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    Öğe
    Ultrasonic assisted synthesis of Zn(II) 2D coordination polymer and 4-nitroaniline photoluminescence sensing manifestation through DFT studies
    (Taylor & Francis Ltd, 2022) Riasat, Madiha; Sharif, Shahzad; Khurshid, Shazia; Farid, Sidra; Bano, Rehana; Gilani, Mazhar Amjad; Sahin, Onur
    Zinc(II) 2 D polymer, [Zn(3,5-Pydc)(0.5)center dot H2O](n) (1) {3,5-Pydc = pyridine-3,5-dicarboxylate anion}, has been prepared under sonication conditions. The natural bond orbital (NBO) analysis revealed that charge transfer transitions in the vicinity of Zn(II) is accompanied with the highest stabilization energy of 140.13 kcal/mol. Furthermore, molecular electrostatic potential (MEP) analysis has been carried out to identify the reactive sites over the surface of the complex. 1 was characterized by elemental analysis, FTIR spectroscopy, thermal analysis and single crystal X-ray diffraction. The metal-based luminescence properties revealed that 1 can be used as selective chemosensor against 4-nitroaniline. Complex 1 showed excellent quenching efficiency of 98.9% with K-SV value of 3.7 x 10(5) M-1. Density functional theory simulations complement to the specific luminescence quenching of 1 against 4-nitroaniline.