Strong interlayer coupling and unusual antisite defect-mediated p-type conductivity in GePx (x = 1, 2)

Chen, Guoxujia; Wang, Meng; Guan, Xinyi; Zhao, Ping; Jia, Shuangfeng; He, Zheng; Zhao, Dan; Wang, Jianbo

doi:10.1039/d3nr01677c

Nanoscale

2023

DOI: 10.1039/d3nr01677c

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Strong interlayer coupling and unusual antisite defect-mediated p-type conductivity in GeP_x (x = 1, 2)

Guoxujia Chen

Meng Wang

Xinyi Guan

et al.

Abstract: As an emerging candidate of anisotropic two-dimensional materials, the group IV-V family (e.g. GeP, GeP2) exhibits appealing applications in photoelectronics. However, their intrinsic point defect properties, which largely determine the...

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Cited by 2 publications

References 54 publications

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Controlled vapour growth and phase engineering of large-area bilayer WSe2 for optoelectronic applications

Ao,

Yang,

Lan

et al. 2023

Progress in Natural Science: Materials International

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Controlled vapour growth and phase engineering of large-area bilayer WSe2 for optoelectronic applications

Ao,

Yang,

Lan

et al. 2023

Progress in Natural Science: Materials International

View full text Add to dashboard Cite

Promoting the carrier mobility of Nb2SiTe4 through cation coordination engineering

Meng,

Nie,

Lin

et al. 2024

Applied Physics Letters

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Ternary two-dimensional (2D) monoclinic Nb2SiTe4 has garnered significant attention for its potential applications in anisotropic photoelectronics. Yet, its intrinsic indirect bandgap nature and low hole mobility, attributed to the short Nb–Nb dimer configurations, hinder the efficient photogenerated carrier separation and transport. In this Letter, using density functional theory calculations, we demonstrate the interlayer intercalation of Si results in the formation of a metastable orthorhombic Nb2SiTe4 structure devoid of detrimental short Nb–Nb dimers. Notably, this Si intercalation leads to a remarkable reduction of hole effective masses of orthorhombic Nb2SiX4 (X = S, Se, and Te), a crucial factor for achieving high carrier mobility. Taking the orthorhombic Nb2SiTe4 monolayer as an example, the calculated hole mobility (>100 cm2 V−1 s−1) is comparable in magnitude to the respectable hole mobility observed in multiple layers of the monoclinic Nb2SiTe4. To simultaneously enhance electron and hole mobility, we establish a van der Waals junction between the monoclinic and orthorhombic Nb2SiTe4 structures, achieving high and comparable carrier mobilities. The Nb2SiTe4 junction exhibits a nearly direct bandgap of 0.35 eV, rendering it suitable for infrared light harvesting. Furthermore, carriers within the Nb2SiTe4 junction become spatially separated across different layers, resulting in an intrinsic built-in electric field, which is superior for efficient photo-generated charge separation and decreases the potential nonradiative carrier recombination. Our findings highlight the impact of cation coordination engineering on the electronic and optical properties of 2D Nb2SiTe4 and provide a feasible solution to achieve better carrier transport in low-dimensional photovoltaic functionalities.

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Strong interlayer coupling and unusual antisite defect-mediated p-type conductivity in GeP_x (x = 1, 2)

Abstract: As an emerging candidate of anisotropic two-dimensional materials, the group IV-V family (e.g. GeP, GeP2) exhibits appealing applications in photoelectronics. However, their intrinsic point defect properties, which largely determine the...

Cited by 2 publications

References 54 publications

Controlled vapour growth and phase engineering of large-area bilayer WSe2 for optoelectronic applications

Controlled vapour growth and phase engineering of large-area bilayer WSe2 for optoelectronic applications

Promoting the carrier mobility of Nb2SiTe4 through cation coordination engineering

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