Role of topological surface states and mirror symmetry in topological crystalline insulator SnTe as an efficient electrocatalyst

Qu, Qing; Liu, Bin; Liu, Hongtao; Liang, Jing; Wang, Jiannong; Pan, Ding; Sou, Iam Keong

doi:10.1039/d1nr05089c

Cited by 17 publications

(4 citation statements)

References 78 publications

(137 reference statements)

Supporting

Mentioning

Contrasting

Order By: Relevance

“…18 and 19. As for the (001) surface, In doping, 20 hydrogen adsorption 21 and diluted impurities 22 have been considered. Doped SnTe, specially by In impurities, is an ongoing subject of discussion regarding topological superconductivity.…”

Section: Introductionmentioning

confidence: 99%

Persistence of symmetry-protected Dirac points at the surface of the topological crystalline insulator SnTe upon impurity doping

et al. 2022

View full text Add to dashboard Cite

show abstract

Section: Introductionmentioning

confidence: 99%

Persistence of symmetry-protected Dirac points at the surface of the topological crystalline insulator SnTe upon impurity doping

et al. 2022

View full text Add to dashboard Cite

show abstract

“…Sn 3d 3/2 and 3d 5/2 peaks at a binding energy of 495.2 and 486.7 eV, respectively, and a separation of 8.5 eV can be assigned to the Sn 2+ state . The Te 3d 3/2 (583.2 eV) and 3d 5/2 (572.8 eV) doublets with an SOS of 10.4 eV can be assigned to the Te 2– state and at higher binding energies of the Te 3d spectrum; the minor peaks (586.9, 576.4 eV) are assigned to the Te 4+ state from the TeO 2 surface oxides. , Bi 4f 5/2 (163.0 eV) and 4f 7/2 (157.7 eV) main peaks with a SOS of 5.3 eV are assigned to the Bi 3+ oxidation state, whereas the shoulders at higher binding energies (164.5, 159.2 eV) are labeled as Bi (3+ x )+ as previously reported to arise from binding with residual oxygen . Cu 2p 1/2 (952.8 eV) and 2p 3/2 (933.0 eV) spectra with a separation of 19.8 eV show good agreement with the Cu + state .…”

Section: Resultsmentioning

confidence: 98%

Enhanced Electrical, Thermal, and Mechanical Properties of SnTe through Equimolar Multication Alloying for Suitable Device Applications

Kihoi,

Shenoy,

Kim

et al. 2024

ACS Appl. Energy Mater.

View full text Add to dashboard Cite

With the ever-growing demand for eco-friendly energy sources to mitigate the global rising temperatures, the universal insatiable need for sustainable and efficient energy sources are earnestly being intensively sought after. The ubiquitous heat within, if successfully tapped, is an utterly promising source of energy. To achieve this, a thermoelectric device (TED) is needed. To enhance the conversion efficiency from heat to useful electrical power, we developed a strategy to improve the thermoelectric performance of the materials involved. In this work, equimolar multication alloying (EMMCA) is proposed for the first time and employed to enhance the performance of SnTe-based thermoelectric materials. Beyond the cation's solubility limit, in situ compositing is observed with an increasing doping ratio, whereby distinct CuInTe 2 ternary second phases are dispersed within the SnTe matrix. The electronic properties of the ensuing alloy are significantly enhanced by the resulting carrier concentration modulation and the unique electronic band engineering. A decrease in the thermal transport properties is likewise reported, benefiting from enhanced phonon scattering and diminished electronic contribution. The mechanical properties are also shown to increase with increased alloying. As a result, single-leg TED performance shows substantial output power in comparison with the pristine sample. The outcomes stemming from EMMCA are documented as significantly impactful, contributing to superior overall thermoelectric performance.

show abstract

“…Quantum catalysis theory is a novel catalyst design theory developed in the last decade, − which has been validated by several comparisons of theorical − and experimental results. − Chen et al proposed for the first time that the surface states of a topological insulator can diffuse to surface-supported Au clusters to promote CO oxidation . Later, it was found that a few classified topological semimetallic materials can also be used as catalysts for certain reactions, such as the Weyl semimetals (WSMs) NbAs and TaAs for simple molecule activation reactions and the topological nodal line semimetals (TNLSMs) ZrSiS and ZrSiSe for the HER .…”

Section: Introductionmentioning

confidence: 99%

Quantum Catalytic Performance for the Hydrogen Evolution Reaction and the Ethanol Oxidation Reaction in Topological Edge States of SrPd and BaPd Semimetal Monolayers: A Theoretical Study

2023

View full text Add to dashboard Cite

Catalysis plays an important role in human society. Quantum catalysis theory using topological materials is a new catalyst design theory developed in recent years. In this article, a new type of two-dimensional topological nodal line semimetals material (2D TNLSM), consisting of a SrPd or BaPd monolayer, is designed by density functional theory (DFT) calculations. Due to the presence of both time-reversal and spatial-inversion symmetries, the band crossings persist along a closed path around the Y point in the 2D Brillouin zone, which leads to topological edge states with a high electronic density of states near the Fermi level. The partially unoccupied topological edge states originating from the Pd d orbitals behave as electron acceptors and share part of electrons provided by the trivial edge states. Therefore, the interaction between the Pd active sites at SrPd and BaPd edges and H is weakened, contributing to an optimized binding strength toward H adsorption. Thus, the Heyrovsky reaction becomes a rate-determining step (RDS), leading to an excellent hydrogen evolution reaction (HER) catalytic efficiency. In addition, this kind of Pd-containing catalyst also has good catalytic performance for the ethanol oxidation reaction (EOR). These results deepen the understanding of the HER and EOR mechanisms for two-dimensional topological materials and provide a new idea for HER and EOR catalyst design.

show abstract

Role of topological surface states and mirror symmetry in topological crystalline insulator SnTe as an efficient electrocatalyst

Abstract: The intrinsic activities of SnTe (001) and (111) surfaces with robust topological surface states (TSSs) are superior to that of a (211) surface with fragile or without TSSs, attributing to the enhanced charge transfer between H atoms and TSSs.

Cited by 17 publications

References 78 publications

Persistence of symmetry-protected Dirac points at the surface of the topological crystalline insulator SnTe upon impurity doping

Persistence of symmetry-protected Dirac points at the surface of the topological crystalline insulator SnTe upon impurity doping

Enhanced Electrical, Thermal, and Mechanical Properties of SnTe through Equimolar Multication Alloying for Suitable Device Applications

Quantum Catalytic Performance for the Hydrogen Evolution Reaction and the Ethanol Oxidation Reaction in Topological Edge States of SrPd and BaPd Semimetal Monolayers: A Theoretical Study

Contact Info

Product

Resources

About