TiB2 thin film enabled efficient NH3 electrosynthesis at ambient conditions

Electrocatalytic N-2 reduction is regarded as an attractive alternative to the industrial Haber-Bosch process for mild NH3 synthesis. However, its practical feasibility requires efficient electrocatalysts with high activity and selectivity. Herein, we first report using sputtered TiB2 film to enable superb artificial N-2 reduction electrocatalysis. In 0.1 M HCl, such TiB2 seizes a great NH3 yield of 1.75 x 10(-10) mol s(-1) cm(-2) and a high Faradaic efficiency of 11.37% at -0.30 V vs. reversible hydrogen electrode with excellent durability. Density functional theory calculations further evidence that the high activity and selectivity of TiB2 arise from the positively charged Ti atomic plane, which facilitates the adsorption, activation, and hydrogenation of N-2 molecules while well suppresses the binding of H atoms. (C) 2021 Elsevier Ltd. All rights reserved.

Automated summary

The study introduces the use of sputtered TiB2 film for efficient artificial N2 reduction electrocatalysis, achieving high NH3 yield and Faradaic efficiency in HCl solution with excellent durability. This is attributed to the positively charged Ti atomic plane, as evidenced by density functional theory calculations, which facilitates N2 molecules adsorption, activation, and hydrogenation while suppressing the binding of H atoms.