Multifold Fermions Boosted Hydrogen Evolution Reaction Catalysis in Cubic Palladium Bronze LaPd3S4

Yang Li, Jialin Gong, Xiaotian Wang
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Abstract

Topological materials are currently considered excellent catalysts for heterogeneous processes because of their surface metallic states and excellent carrier mobility. This work will show that cubic palladium bronze LaPd3S4 is an ideal topological material with multifold fermions, Fermi arcs on the (001) surface, and high catalytic performance for electrochemical hydrogen evolution reactions (HER). A direct correlation has been discovered between the position of the multifold fermions (related to the Fermi level) and Gibbs free energy (ΔGH*). Moreover, by applying the vertical electric field and uniaxial strain to the LaPd3S4, the multifold fermions disappear, and the |ΔGH*| increases, weakening the HER activity. This correlation establishes a clear connection between increased catalytic performance and topological states and fully elucidates the underlying process in topological catalysis.

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多倍费米子促进立方钯青铜 LaPd3S4 中的氢气进化反应催化作用
拓扑材料因其表面金属态和出色的载流子迁移率,目前被认为是异相过程的极佳催化剂。这项研究将表明,立方钯青铜 LaPd3S4 是一种理想的拓扑材料,具有多折费米子、(001)表面费米弧和高催化性能,可用于电化学氢进化反应(HER)。研究发现,多折费米子的位置(与费米级有关)与吉布斯自由能(ΔGH*)之间存在直接关联。此外,通过对 LaPd3S4 施加垂直电场和单轴应变,多折费米子消失,|ΔGH*|增加,从而削弱了 HER 活性。这种相关性在催化性能的提高与拓扑态之间建立了明确的联系,并充分阐明了拓扑催化的基本过程。
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