Potential of Nanocages (Ni-Si₅₂, Ni-C₅₂ and Ni-B₂₆N₂₆) and Nanotubes (Ni-SiNT (6, 0), Ni-CNT (6, 0) and Ni-BNNT (6, 0)) for CO₂ Reduction Reaction

The abilities of Ni-Si₅₂, Ni-SiNT(6, 0), Ni-C₅₂, Ni-B₂₆N₂₆, Ni-CNT (6, 0) and Ni-BNNT (6, 0) as catalyst of CO₂-RR to CH₄ are compared. The E_adoption and E_formation of Ni-Si₅₂, Ni-SiNT(6, 0), Ni-C₅₂, Ni-B₂₆N₂₆, Ni-CNT (6, 0) and Ni-BNNT (6, 0) are stable parameters. The E_adoption of CO₂-RR on Ni-Si₅₂, Ni-SiNT(6, 0), Ni-C₅₂, Ni-B₂₆N₂₆, Ni-CNT (6, 0) and Ni-BNNT (6, 0) are − 3.34, -3.47, -5.42, -3.81, -3.99 and − 5.89 eV. The HCOOH, CO, HCOH, CH₃OH and CH₄ adsorption as important products for CO₂-RR on Ni doped nanotubes an nanocages are examined. The E_formation of CO₂-RR on Ni-Si₅₂, Ni-SiNT(6, 0), Ni-C₅₂, Ni-B₂₆N₂₆, Ni-CNT (6, 0) and Ni-BNNT (6, 0) are − 4.27, -4.39, -4.51, -4.87, -5.02 and − 4.92 eV. The CO₂-RR mechanisms on Ni doped nanotubes and nanocages are examined. The overpotential of CO₂-RR on Ni-Si₅₂, Ni-SiNT(6, 0), Ni-C₅₂, Ni-B₂₆N₂₆, Ni-CNT (6, 0) and Ni-BNNT (6, 0) are 0.338, 0.327, 0.331, 0.304, 0.295 and 0.296 V. The Overpotential of CO₂-RR on Ni-C₅₂, Ni-B₂₆N₂₆, Ni-CNT (6, 0) and Ni-BNNT (6, 0) are lower than metal catalysts. The Ni-Si₅₂, Ni-SiNT(6, 0), Ni-C₅₂, Ni-B₂₆N₂₆, Ni-CNT (6, 0) and Ni-BNNT (6, 0) is processed the CO₂-RR.