Experimental and DFT evaluation of nitrogen-doped nanoporous carbon from run-of-mine coal as electrode material for supercapacitors
Jibril Abdulsalam1
Aniekan Magnus Ukpong2
Samson Bada3
1.School of Chemical and Metallurgy,Faculty of Engineering and the Built Environment,University of the Witwatersrand,Wits 2050,Johannesburg,South Africa;Institute for Material Science,Technical University of Darmstadt,Peter-Grünberg-Str.2,64287 Darmstadt,Germany2.Theoretical and Computational Condensed Matter and Materials Physics Group,School of Chemistry and Physics,College of Agriculture,Engineering and Science,University of KwaZulu-Natal,Pietermaritzburg 3201,South Africa;National Institute for Theoretical and Computational Sciences(NITheCS),University of KwaZulu-Natal,Pietermaritzburg 3201,South Africa3.School of Chemical and Metallurgy,Faculty of Engineering and the Built Environment,University of the Witwatersrand,Wits 2050,Johannesburg,South Africa
摘要：Global pressure to achieve net-zero emissions is driving major shifts in how fossil fuels are used and perceived.With the global push toward renewable energy,demand for coal as a fuel source is expected to decline,enhancing its appeal as a feedstock for advanced carbon materials.This study investigated nitrogen(N)functionalised nanoporous carbon material derived from run-of-mine coal as an electrode material for supercapacitors.Experimental findings and density functional theory(DFT)calculations revealed that N-doping causes a rearrangement of the carbon skeleton structure and improves the surface properties.Scanning electron microscopy(SEM)reveals that the structure is porous.X-ray diffraction analy-sis(XRD)confirms the material's amorphous nature.Raman spectroscopy reveals defects in the material's structure.Brunauer-Emmett-Teller(BET)analysis reveals that doping with nitrogen results in a higher surface area.The N-doped material showed a higher specific capacitance of 169 F/g,energy density of 23.5 Wh/kg,and power density of 600 W/kg.Notably,after 5000 cycles at 1 Ag-1,the capacitance retention remained at 78.2％,and coulombic efficiency was 99.9％.These improvements are attributed to enhanced conductivity and increased surface area for the electrolyte ions.This study highlights the potential of using run-of-mine coal as a viable feedstock for high-performance carbon materials in sustainable energy applications.
机标关键词：evaluationelectrodematerialcarbonfromcoalexperimentalnanoporous
论文发表日期：2025-12-31
在线出版日期：2026-01-30（本平台首次上网日期，不代表文献的发表时间）
页数：19( 281-299 )
英文信息