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Peer-reviewedCC BY-NC 4.0Journal of Molecular Structure

Novel single-crystal enaminone ligand-activated carbon composite for efficient supercapacitor electrode application

Abstract

The development of hybrid materials for supercapacitors is crucial to achieving improved electrochemical energy storage. In this work, a new ligand (LCAT2: 4-Hydroxy-N'-(1-(4-hydroxy-5-methyl-2-oxo-2H-pyran-3-yl) ethylidene) benzohydrazide) and its hybrid material with platinum activated carbon (ACPt) have been synthesized and characterized using attenuated total reflectance (ATR), Nuclear Magnetic Resonance (1H and 13C NMR), electrospray ionization mass spectrometry (ESI-MS), single-crystal X-ray diffraction, Brunauer-Emmett-Teller (BET), powder X-ray diffraction (XRD), scanning electron microscopy-energy dispersive X-ray (SEM-EDX), and X-ray photoelectron spectroscopy (XPS). In addition, this study was complemented by theoretical analyses using techniques such as Hirshfeld and density functional theory (DFT). Furthermore, an electrochemical study was conducted to evaluate the energy storage performance of ACPt-LCAT2 material, prepared with a mass ratio of 100:10. The characterization part shows that the compound crystallizes in the monoclinic C2/c space group and reveals the presence of a hydration water molecule that significantly contribute with their chemical bonds to the stability of the crystal lattice. The electrochemical results for energy storage applications (Specific capacitance: 100.127 F.g-1, Specific energy: 12.165 Wh.Kg-1, Specific power: 46.765 W.Kg-1, Specific capacity: 70.275 mAh.g1 at a specific current of 0.1 A.g-1, and Specific power: 449.30 W.kg-1 at 1 A.g-1) demonstrate that ACPt-LCAT2 is a promising material for supercapacitors integrated into energy storage systems designed for biomedical electronics, particularly for health monitoring. This performance arises from the promising biological properties of the enamino-dehydroacetic acid (DHA) unit in LCAT2 and its low-current operation, which limits heat generation and extends device lifespan.

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BibTeX
@article{lakhdari2026novel,
  title = {{Novel single-crystal enaminone ligand-activated carbon composite for efficient supercapacitor electrode application}},
  author = {Houria Lakhdari and Chafia Ait Ramdane-Terbouche and Achour Terbouche and Khaled Ait-Ramdane and Thierry Roisnel and Didier Hauchard},
  journal = {Journal of Molecular Structure},
  year = {2026},
  month = sep,
  doi = {10.1016/j.molstruc.2026.146203},
  url = {https://hal.science/hal-05622150v1},
  note = {CC BY-NC 4.0},
}
RIS
TY  - JOUR
TI  - Novel single-crystal enaminone ligand-activated carbon composite for efficient supercapacitor electrode application
AU  - Houria Lakhdari
AU  - Chafia Ait Ramdane-Terbouche
AU  - Achour Terbouche
AU  - Khaled Ait-Ramdane
AU  - Thierry Roisnel
AU  - Didier Hauchard
PY  - 2026
DA  - 2026/09/01
JO  - Journal of Molecular Structure
DO  - 10.1016/j.molstruc.2026.146203
UR  - https://hal.science/hal-05622150v1
AB  - The development of hybrid materials for supercapacitors is crucial to achieving improved electrochemical energy storage. In this work, a new ligand (LCAT2: 4-Hydroxy-N'-(1-(4-hydroxy-5-methyl-2-oxo-2H-pyran-3-yl) ethylidene) benzohydrazide) and its hybrid material with platinum activated carbon (ACPt) have been synthesized and characterized using attenuated total reflectance (ATR), Nuclear Magnetic Resonance (1H and 13C NMR), electrospray ionization mass spectrometry (ESI-MS), single-crystal X-ray diffraction, Brunauer-Emmett-Teller (BET), powder X-ray diffraction (XRD), scanning electron microscopy-energy dispersive X-ray (SEM-EDX), and X-ray photoelectron spectroscopy (XPS). In addition, this study was complemented by theoretical analyses using techniques such as Hirshfeld and density functional theory (DFT). Furthermore, an electrochemical study was conducted to evaluate the energy storage performance of ACPt-LCAT2 material, prepared with a mass ratio of 100:10. The characterization part shows that the compound crystallizes in the monoclinic C2/c space group and reveals the presence of a hydration water molecule that significantly contribute with their chemical bonds to the stability of the crystal lattice. The electrochemical results for energy storage applications (Specific capacitance: 100.127 F.g-1, Specific energy: 12.165 Wh.Kg-1, Specific power: 46.765 W.Kg-1, Specific capacity: 70.275 mAh.g1 at a specific current of 0.1 A.g-1, and Specific power: 449.30 W.kg-1 at 1 A.g-1) demonstrate that ACPt-LCAT2 is a promising material for supercapacitors integrated into energy storage systems designed for biomedical electronics, particularly for health monitoring. This performance arises from the promising biological properties of the enamino-dehydroacetic acid (DHA) unit in LCAT2 and its low-current operation, which limits heat generation and extends device lifespan.
SN  - 0022-2860
SN  - 0022-2860
ER  -