2D NbIrTe<sub>4</sub> and TaRhTe<sub>4</sub> monolayers: two fascinating topological insulators as electrocatalysts for oxygen reduction

Lv, Mingyue; Yu, Gao; Chen, Wei

doi:10.1039/d2qi01608g

Cited by 5 publications

(4 citation statements)

References 83 publications

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“…This is in line with previous calculations [20] for the active H-adsorption sites in TaAs and TaS 2 -related materials, where the most active sites are all closely related to the metal atoms showing large d-band DOS near the Fermi energy. Besides, previous calculations [31] show that the most active reaction sites for oxygen reduction reaction in NbIrTe 4 are very similar to the m1 and t1 sites for HER as shown here. The average ΔG H of the two special sites m1 and t1 is ≈0.77 eV for NbIrTe 4 , and 0.89 eV for TaIrTe 4 .…”

Section: Resultssupporting

confidence: 85%

“…In addition, density functional theory calculations recently predicted that monolayers of NbIrTe 4 and the related TaRhTe 4 could be efficient catalysts for the oxygen reduction B. V. Lotsch Cluster of Excellence E-conversion Lichtenbergstrasse 4a, 85748 Garching, Germany reaction. [31] Hitherto, the catalytic performance of MIrTe 4 (M = Nb, Ta) Weyl semimetals has not been reported for dye-sensitized HER which motivated us to look into the catalytic performance of this class of 2D Van der Waals solids for EY-sensitized HER.…”

Section: Introductionmentioning

confidence: 99%

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

Samanta

Tan

Laha

et al. 2023

Advanced Energy Materials

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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.

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Section: Resultssupporting

confidence: 85%

Section: Introductionmentioning

confidence: 99%

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

Samanta

Tan

Laha

et al. 2023

Advanced Energy Materials

View full text Add to dashboard Cite

show abstract

“…This is in line with previous calculations [18] for the active H-adsorption sites in TaAs and TaS2 related materials, where the most active sites are all closely related to the metal atoms showing large d-band DOS near the Fermi energy. Besides, previous calculations [29] show that the most active reaction sites for oxygen reduction reaction in NbIrTe4 are very similar to the m1 and t1 sites for HER as shown here. The average ΔGH of the two special sites m1 and t1 is ~ 0.77 eV for NbIrTe4, and 0.89 eV for TaIrTe4.…”

Section: Figure 3 (A) H Adsorption Sites On the Mirte4 (M = Ta Nb) Ar...supporting

confidence: 85%

“…In addition, density functional theory calculations recently predicted that monolayers of NbIrTe4 and the related TaRhTe4 could be efficient catalysts for the oxygen reduction reaction. [29] Hitherto, the catalytic performance of MIrTe4 (M = Nb, Ta) Weyl semimetals has not been reported for dye-sensitized HER which motivated us to look into the catalytic performance of this class of 2D Van der Waals solids for EY-sensitized HER.…”

Section: Introductionmentioning

confidence: 99%

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

Samanta

Tan

Laha

et al. 2023

Preprint

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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, we report a new class of electrocatalysts based on the layered Weyl semimetals MIrTe4 (M = Nb, Ta) for the Eosin Y (EY)-sensitized hydrogen evolution reaction (HER) under visible light illumination. NbIrTe4 and TaIrTe4 exhibit HER activities of ~ 18000 and ~ 14000 mol.g-1, respectively after 10h of irradiation with visible light. Time-dependent UV-Vis spectroscopy and high-pressure liquid chromatography coupled with mass spectroscopy analysis shed light on the reaction dynamics and enable deeper understanding of the observed trend in hydrogen evolution rates for MIrTe4 materials. MIrTe4 (M = Nb, Ta) semimetals outperform related catalysts including transition metal dichalcogenides and other Weyl semimetals in terms of HER activity using EY as photosensitizer and triethanolamine as the sacrificial agent. We hypothesize that the topology-related band inversion in MIrTe4 Weyl semimetals promotes a high density of metal 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.

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First-principles study of efficient integral water-splitting and oxygen reduction reactions in transition metal single atom anchored NbTe2

Ma,

Chang,

Fan

et al. 2025

Computational Materials Science

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2D NbIrTe₄ and TaRhTe₄ monolayers: two fascinating topological insulators as electrocatalysts for oxygen reduction

Abstract: By means of density function theory calculations, it is revealed that the freestanding 2D topological insulator nanomaterials, namely NbIrTe4 and TaRhTe4 monolayers, can be exfoliated from their bulk phases with...

Cited by 5 publications

References 83 publications

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

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

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

First-principles study of efficient integral water-splitting and oxygen reduction reactions in transition metal single atom anchored NbTe2

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2D NbIrTe4 and TaRhTe4 monolayers: two fascinating topological insulators as electrocatalysts for oxygen reduction

Abstract: By means of density function theory calculations, it is revealed that the freestanding 2D topological insulator nanomaterials, namely NbIrTe4 and TaRhTe4 monolayers, can be exfoliated from their bulk phases with...

Cited by 5 publications

References 83 publications

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

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

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

First-principles study of efficient integral water-splitting and oxygen reduction reactions in transition metal single atom anchored NbTe2

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Product

Resources

About

2D NbIrTe₄ and TaRhTe₄ monolayers: two fascinating topological insulators as electrocatalysts for oxygen reduction

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

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