Oxygen reduction reaction on Pt-skin Pt₃V(111) fuel cell cathode: a density functional theory study

Abstract

Pt-non-precious transition metals (Pt-NPTMs) alloy electrocatalysts have gained considerable attention to develop cheaper and efficient electrocatalysts for oxygen reduction reaction (ORR) in proton exchange membrane fuel cells (PEMFCs).

How to appropriately assess the oxygen reduction reaction activity of platinum group metal catalysts with rotating disk electrode

“…While PEMFCs is still hindered from its largescale application due to the scarcity and high costs of PGMs ( Dong et al., 2020a ; Wang et al., 2020a ). Great efforts have been paid on catalyst design ( Chen et al., 2020a ; Hu et al., 2020 ; Qin et al., 2020 ; Sandbeck et al., 2020 ; Zhang et al., 2020a ), advanced characterization ( Dong et al., 2020b ; Wan et al., 2019 ; Wang et al., 2019c ), simulation and theoretical studies ( Chen et al., 2020c ; Haile et al., 2020 ; Hammer and Nørskov, 2000 ; Liu et al., 2020a ; Moriau et al., 2021 ; Nørskov et al., 2004 ) to get insight into the ORR mechanisms and reduce the Pt loading for PEMFCs. Those achievements, challenges, and prospects of PGMs for ORR during the last twenty years have been well summarized and analyzed by other researchers ( Ma et al., 2020 ; Liu et al., 2020c ; Ren et al., 2020 ; Wang et al., 2019a ; Xie et al., 2020 ).…”

An Overview on Pt3X Electrocatalysts for Oxygen Reduction Reaction

“…al . predicted a new Pt 3 V alloy electrocatalyst as a promising cathode material for PEMFCs [46] . ORR intermediates were seen to have lower binding energies on Pt‐skin Pt 3 V(111) compared to pure Pt(111).…”

“…The formation of OH is found to be the rate determining step with an activation energy of 0.64 eV, which is even lower than in pure Pt(111) surface (0.72 eV). Additionally, the negative formation energy of the Pt 3 V alloy and the positive dissolution potential shift of the surface Pt atoms revealed the better stability of Pt 3 V(111) [46] …”

O2activation by core–shell Ru13@Pt42particles in comparison with Pt55particles: a DFT study

“…These features suggest that H species is formed on the cathode surface. Actually, the reactions of adsorbed H atoms with oxygen-containing species were discussed in recent works, 25,[74][75][76] which indicate they correspond to the Langmuir-Hinshelwood pathway. First, we investigated the formation of OOH species from the adsorbed O 2 molecule and H atom on the surface; the adsorption sites of OOH and H are shown in Fig.…”