Periodic Reporting for period 1 - MESTUM (Machine learning-based prediction and evaluation of supercapacitor performance of transition metal carbide developed by using waste surgical masks during COVID-19)
Okres sprawozdawczy: 2023-08-01 do 2025-08-31
The MESTUM project under the Marie Skłodowska-Curie Actions (MSCA) aims to advance the development of sustainable, fossil-free energy storage technologies through the next generation of supercapacitors (SCs). The project proposes to overcome the intrinsic performance limitations of SCs by synthesizing transition metal carbides (TMCs) using spent surgical masks as a novel carbon precursor addressing both the environmental challenge of pandemic-related waste and the global demand for efficient energy storage materials. Transition metal carbides are recognized for their excellent electrical conductivity, thermal stability, chemical robustness, and compatibility with aqueous and organic electrolytes, making them ideal candidates for high-performance electrodes. Among them, manganese-based carbides stand out due to the abundance and cost-effectiveness of manganese and its multiple stable oxidation states (+2, +3, +4, +5, +6, +7, etc.), which facilitate multi-electron transfer reactions and deliver exceptional pseudocapacitance and long-term cycling stability. This project connects with the social sciences and humanities through its emphasis on sustainability, environmental ethics, and societal impact. By converting discarded face masks into valuable energy materials, it addresses global waste management and public health challenges. The work promotes responsible innovation and circular economy principles, aligning with social responsibility and policy discussions. It also reflects human-centred approaches to science, linking technological advancement with community welfare. Ultimately, it demonstrates how scientific progress can support social equity and environmental stewardship.
(i) Face mask is used successfully as a precursor for transition metal carbide synthesis. Nearly, 10% mass of carbides are obtained after pyrolysis of face mask in nitrogen atmosphere at 1100 degree Celsius. It is a successful pathway of Cost-effective carbide materials production, reducing huge plastic pollution owing to COVID-19.
(ii) Development of transition metal carbide (TMC) and its successful etching by NH4HF2, generate porosity as well as surface area becomes six times higher which is useful to accommodate electrolytic ions on materials surface to boost charge transport on materials surface.
(iii) Electrode materials are tested in acid, base and neutral electrolytes which shows optimize performance in H2SO4 compared to KOH and neutral electrolytes. Sp. Capacitance ~1500 F/cm3 and sp. Energy ~200 Wh/L are observed volumetrically which surpasses most of the highest reported values in Q1 and D1 journals.
(iv) Machine learning is useful for the setting of voltage windows and current density for carbon-based electrodes as porous Manganese carbide electrode.
(v) X-ray scattering and X-ray photoelectron spectroscopy report the oxidation states, electronic structure and percentage of presence of the states of the elements in electrode materials, and porosity in the new metal carbide materials. Mn-Carbide showed high cycling stability in charge-discharge cycles (~90% in 5000 cycles and ~80% in 10,000 cycles).
In summary, all specific objectives have been addressed and concisely outlined above, while detailed explanations are presented in the individual work packages in the following section.
(ii) Development of transition metal carbide (TMC) and its successful etching by NH4HF2, generate porosity as well as surface area becomes six times higher which is useful to accommodate electrolytic ions on materials surface to boost charge transport on materials surface.
(iii) Electrode materials are tested in acid, base and neutral electrolytes which shows optimize performance in H2SO4 compared to KOH and neutral electrolytes. Sp. Capacitance ~1500 F/cm3 and sp. Energy ~200 Wh/L are observed volumetrically which surpasses most of the highest reported values in Q1 and D1 journals.
(iv) Machine learning is useful for the setting of voltage windows and current density for carbon-based electrodes as porous Manganese carbide electrode.
(v) X-ray scattering and X-ray photoelectron spectroscopy report the oxidation states, electronic structure and percentage of presence of the states of the elements in electrode materials, and porosity in the new metal carbide materials. Mn-Carbide showed high cycling stability in charge-discharge cycles (~90% in 5000 cycles and ~80% in 10,000 cycles).
In summary, all specific objectives have been addressed and concisely outlined above, while detailed explanations are presented in the individual work packages in the following section.
1. Mn-carbide based MXene is synthesized for the first time.
2. Face mask is used as a carbon source for MXene synthesis for the first time.
3. Developed Cell show high volumetric capacitance~ 600 F/ cm3 and volumetric energy ~220 Wh/L which can surpass most-top reported results in the field of energy storage.
4. Two and three electrode system can surpass previously reported characteristics of the electrodes which is described in terms of work function.
5. SAXS analysis describes the surface improvement after etching of MAX phase.
2. Face mask is used as a carbon source for MXene synthesis for the first time.
3. Developed Cell show high volumetric capacitance~ 600 F/ cm3 and volumetric energy ~220 Wh/L which can surpass most-top reported results in the field of energy storage.
4. Two and three electrode system can surpass previously reported characteristics of the electrodes which is described in terms of work function.
5. SAXS analysis describes the surface improvement after etching of MAX phase.