Electronic structures and quantum capacitance of single-walled carbon nanotubes doped by 3d transition-metals: A first principles study

Jiancheng Yang,Mingtao Yang,Xiaori Liu,Mingkai Zhang,Mengkai Gao,Long Chen,Jiachun Su,Yuan Huang,Yiqing Zhang,Boxiong Shen

Electrochimica Acta（2022）

引用 7|浏览5

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摘要

•Systematic study of 3d transition metal-doped CNTs.•V(Cr, Mn, Co)-doped CNTs show spin-polarization effects.•The 3d transition metal doping makes a big difference to the energy band.•3d transition metal doping increases the quantum capacitance.•Ni-CNT has the largest quantum capacitance near zero potential.

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关键词

Quantum capacitance,Single-wall carbon nanotubes,Transition metal,Density of surface charge,Density functional theory

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