Large Rashba splitting, carrier mobility, and valley polarization in a 1T-SnS<sub>2</sub>/MoTe<sub>2</sub> heterostructure

Teng, Sukai; Li, Jia; Mao, Xiujuan; He, Fuli; Liu, Ze; Wang, Yafan

doi:10.1039/d1cp02039k

Cited by 8 publications

(1 citation statement)

References 47 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Recently, single-layer group-IV–VI chalcogenides have risen as a new series of 2D materials with advantages of nontoxicity, superior stability, and sufficient resource. − In 2019, Xu et al . prepared 2D atomic-layers of SnS 2 by chemical vapor deposition (CVD) and found the SnS 2 nanosheet-based field-effect transistors (FETs) possessing a high on/off ratio of 10. , Xia et al .…”

Section: Introductionmentioning

confidence: 99%

An Ab Initio Study of Two Dimensional SnX₂ and Janus SnXY (X = S, Se) Nanosheets as Potential Photocatalysts for Water Splitting

Xie

Shang

et al. 2023

ACS Appl. Nano Mater.

View full text Add to dashboard Cite

Discriminating appropriate two-dimensional (2D) photocatalysts for hydrogen generation is among the most prospective schemes to tackle with environmental contaminations. Unfortunately, the inferior capability to harvest solar light together with fast recombination of photoexcited carriers can severely reduce the catalytic ability with consequent limited commercial applications. In this work, a series of single-layer MXY (M = Ge, Sn; X, Y = S, Se, and Te) containing T-and Hphases about photocatalytic capabilities are systematically explored by firstprinciples calculations. First, the T-and H-MXY monolayers possess transformable band gaps of 0−2.37 and 0−1.49 eV, respectively. Astonishingly, the values of T-GeS 2 , T-SnS 2 , T-SnSe 2 , T-SnSSe, and H-SnS 2 monolayers are higher than the threshold of redox potential difference (1.23 eV). Also, importantly, the carrier mobilities of anisotropic T-MXY monolayers can reach ∼1 × 10 4 cm 2 V −1 s −1 , which can rapidly transfer and accelerate the separation of the photoexcited carriers during photocatalytic reactions. Inspired by these significant benefits, the T-MXY monolayers have been built for photocatalytic water-splitting. Significantly, the driving force of photoexcited carriers in T-SnX 2 and Janus T-SnSSe monolayers can greatly promote during the redox reactions. Furthermore, the hydrogen reduction and water oxidation reactions of T-SnX 2 and T-SnXY monolayers can proceed spontaneously under irradiation. In addition, the few-layer and even monolayer T-SnS 2 and T-SnSe 2 have been experimentally synthesized in the literature. The potential photocatalysts of singlelayer T-MXY have the 0.25−0.29 J m −2 cleavage energies, and ab initio molecular dynamics simulations further validate their stability. Our results provide support for 2D group-IV−VI chalcogenides for photocatalytic water splitting.

show abstract

Section: Introductionmentioning

confidence: 99%

An Ab Initio Study of Two Dimensional SnX₂ and Janus SnXY (X = S, Se) Nanosheets as Potential Photocatalysts for Water Splitting

Xie

Shang

et al. 2023

ACS Appl. Nano Mater.

View full text Add to dashboard Cite

show abstract

Theoretical insight on the effect of middle layer specifications on electronic properties of SnS2/MX2/SnS2 Trilayer heterostructure (M = Mo, w; X = S, Se, Te)

Tiwari,

Singh,

Bahadursha

et al. 2024

Computational Materials Science

View full text Add to dashboard Cite

Predicting the electronic and mechanical properties of 2D diamond-like carbon and cubic boron nitride intercalated structures

Zhang

et al. 2023

Diamond and Related Materials

View full text Add to dashboard Cite

Large Rashba splitting, carrier mobility, and valley polarization in a 1T-SnS₂/MoTe₂ heterostructure

Abstract: The structural and electronic properties of the 1T-SnS2/MoTe2 heterostructure were investigated based on density functional theory and Berry curvature calculations. Considering the strong spin–orbit coupling and space inversion asymmetry, large...

Cited by 8 publications

References 47 publications

An Ab Initio Study of Two Dimensional SnX₂ and Janus SnXY (X = S, Se) Nanosheets as Potential Photocatalysts for Water Splitting

An Ab Initio Study of Two Dimensional SnX₂ and Janus SnXY (X = S, Se) Nanosheets as Potential Photocatalysts for Water Splitting

Theoretical insight on the effect of middle layer specifications on electronic properties of SnS2/MX2/SnS2 Trilayer heterostructure (M = Mo, w; X = S, Se, Te)

Predicting the electronic and mechanical properties of 2D diamond-like carbon and cubic boron nitride intercalated structures

Contact Info

Product

Resources

About

Large Rashba splitting, carrier mobility, and valley polarization in a 1T-SnS2/MoTe2 heterostructure

Abstract: The structural and electronic properties of the 1T-SnS2/MoTe2 heterostructure were investigated based on density functional theory and Berry curvature calculations. Considering the strong spin–orbit coupling and space inversion asymmetry, large...

Cited by 8 publications

References 47 publications

An Ab Initio Study of Two Dimensional SnX2 and Janus SnXY (X = S, Se) Nanosheets as Potential Photocatalysts for Water Splitting

An Ab Initio Study of Two Dimensional SnX2 and Janus SnXY (X = S, Se) Nanosheets as Potential Photocatalysts for Water Splitting

Theoretical insight on the effect of middle layer specifications on electronic properties of SnS2/MX2/SnS2 Trilayer heterostructure (M = Mo, w; X = S, Se, Te)

Predicting the electronic and mechanical properties of 2D diamond-like carbon and cubic boron nitride intercalated structures

Contact Info

Product

Resources

About

Large Rashba splitting, carrier mobility, and valley polarization in a 1T-SnS₂/MoTe₂ heterostructure

An Ab Initio Study of Two Dimensional SnX₂ and Janus SnXY (X = S, Se) Nanosheets as Potential Photocatalysts for Water Splitting

An Ab Initio Study of Two Dimensional SnX₂ and Janus SnXY (X = S, Se) Nanosheets as Potential Photocatalysts for Water Splitting