The Weyl Semimetals MIrTe₄ (M = Nb, Ta) as Efficient Catalysts for Dye‐Sensitized Hydrogen Evolution

Abstract

The prevalent global energy crisis calls for searching viable pathways for generating green hydrogen as an alternative energy resource. Dye-sensitized photocatalytic water splitting is a feasible solution to produce green hydrogen. However, identifying suitable catalysts has been one of the bottlenecks in driving dye-sensitized photocatalysis efficiently. In this work, a new class of electrocatalysts is reported based on the layered Weyl semimetals MIrTe 4 (M = Nb, Ta) for the Eosin Y (EY)-sensitized hydrogen evolution reaction (HER). NbIrTe 4 and TaIrTe 4 exhibit HER activities of ≈18 000 and 14 000 μmol g −1 respectively, after 10 h of irradiation with visible light. Time-dependent UV-Vis spectroscopy and high-pressure liquid chromatography coupled with mass spectrometry analysis shed light on the reaction dynamics and enable a deeper understanding of the observed trend in hydrogen evolution rates for MIrTe 4 . MIrTe 4 semimetals outperform transition metal-based Weyl semimetals in terms of catalytic HER activity using EY as photosensitizer and triethanolamine as the sacrificial agent. It is hypothesized that the topologyrelated band inversion in MIrTe 4 Weyl semimetals promotes a high density of M d-states near the Fermi level, driving their high catalytic performance. This study introduces a new class of layered Weyl semimetals as efficient catalysts, and provides perspectives for designing topology-enhanced catalysts.

Drumhead surface states promoted hydrogen evolution reactions in type-II nodal-line topological catalyst Mg3Bi2

“…Remarkably, the two above-mentioned properties have been experimentally confirmed. 11,26–28 In fact, recent research results have also confirmed the feasibility of topological materials, such as topological insulators Bi 2 Se 3 and Bi 2 Te 3 , 29,30 Weyl semimetal TaAs family, 8 TaTe 4 31 and NiSi, 32 multifold degenerate semimetals PtGa, PtAl, Nb 2 S 2 C and C12A7:4e − , 33–35 nodal line semimetal TiSi family 22 and semiconductor MoS 2 with floating surface states 36 in the field of catalysis.…”

“…At present, the study and calculations of topological catalysts using PBE-D2 have obtained good test results. 29–36 The HER of Mg 3 Bi 2 was performed in the supercell structure of dimension 2 × 2 × 4.…”

Monolayer Cu2Se: a topological catalysis in CO2 electroreduction

“…The validity of this hypothesis has already been substantiated in various chemical processes, where topological materials have consistently demonstrated their capacity to enhance catalytic efficiency [21][22][23][24][25][26][27][28]. Importantly, the catalytic performance of these topological materials is intimately linked to their unique topological characteristics, particularly the dimension of their edge and surface states as highlighted in Meng et al's work in advanced science [26].…”

Experimental Demonstration of Topological Catalysis for CO2 Electroreduction

“…Based on the topological band theory, topological materials are characterized by symmetry-protected topological surface states (TSSs), which are immune to local perturbations without breaking the bulk topology. − TSS-relevant quantum phenomena have been intensively studied by the physics community. − Recently, with the application of topological materials in the field of chemistry, a new interdiscipline called topological catalysis has appeared. − In heterogeneous catalysis, the reactant adsorption, electron transfer, and product desorption are highly sensitive to the surface environment, so a robust TSS offers an exciting opportunity to design high-performance catalysts. Currently, although a variety of topological semimetal enhanced catalytic reactions − are reported in oxygen and hydrogen evolution reactions (OER and HER), direct experimental evidence to identify the intrinsic TSS effect in topological catalysis is still lacking.…”