Doping-engineered biphenylene as a metal-free electrocatalyst for the hydrogen evolution reaction

Abstract

The rational design of excellent catalytic activity and high chemical stability metal-free electrocatalysts is the core of the large-scale hydrogen production from water splits. Herein, using first-principles calculations, we investigated...

Structural properties and hydrogen evolution reactions of predicted two-dimensional V n C n (n = 2, 3, 6) with first-principles calculations

“…All the ΔG H* values are larger than 0.40eV except that of H4. The Gibbs free energy, −0.25 eV, for H4 of V 6 C 6−α is close to the recommended HER active center (±0.2 eV) [40]. Therefore, V 6 C 6−α with its surface C at H4 site can be a candidate of HER reactions.…”

Selecting dual atomic clusters supported on two-dimensional biphenylene with significantly optimized capability to reduce carbon monoxide

“…43 Additionally, Chen et al discovered that doping BPN with B, P, and S elements significantly enhanced its performance in the hydrogen evolution reaction (HER). 44 Feng et al further revealed that precise control of the Mo atom count on BPN leads to the creation of efficient nitrogen reduction reaction (NRR) electrocatalytic materials. 45 Notably, the potential of metal dual-atoms loaded on BPN for CORR catalysis has yet to be deeply explored, presenting a novel direction and strategy for future research.…”

Mechanism of Nitrogen Coordination Modulation of Fe_Nx@BP System Catalysts on the Activity of Oxygen Reduction Reaction

“…The availability of carbon-based monatomic catalysts such as two-dimensional (2D) graphene and C 3 N 4 , which have an atom utilization rate close to 100%, opens the way to explore the correlation between the structure and catalytic activity. , Recently, a planar sp 2 -hybridized carbon allotropebiphenylene network (BPN) was synthesized on the gold (111) surface by Gottfried et al, marking the introduction of a novel 2D carbon material constituted by tetra (C4), hexa (C6), and octa (C8) carbon rings . The distinctive metallic attributes coupled with positively charged carbon atoms in the tetra rings augment the binding strength with reaction intermediates, thereby enhancing the interfacial activity of BPN. − Liu et al found that biphenylene exhibited excellent catalytic activity during oxygen reduction reaction (ORR) under alkaline conditions . However, the catalytic performance of a single biphenylene is still far from that of commercial platinum metal catalysts.…”