Tunable structural phases and electronic properties of group V MSi2N4 (M = V, Nb, Ta) nanosheets via surface hydrogenation: a first-principles study

Wang, Yanli; Ding, Yi

doi:10.1039/d3tc02881j

J. Mater. Chem. C

2023

DOI: 10.1039/d3tc02881j

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Tunable structural phases and electronic properties of group V MSi₂N₄ (M = V, Nb, Ta) nanosheets via surface hydrogenation: a first-principles study

Yanli Wang,

Yi Ding

Abstract: Surface hydrogenation is revealed to be an effective way to achieve phase engineering in group V MSi2N4 materials, which undergo structural transitions in both central MN2 and surface SiN layers.

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First-principles investigation of two-dimensional iron molybdenum nitride: A double transition-metal cousin of MoSi2N4(MoN) monolayer with distinctive electronic and topological properties

Ding,

Wang

2024

Front. Phys.

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First-principles investigation of two-dimensional iron molybdenum nitride: A double transition-metal cousin of MoSi2N4(MoN) monolayer with distinctive electronic and topological properties

Ding,

Wang

2024

Front. Phys.

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Tunable structural phases and electronic properties of group V MSi₂N₄ (M = V, Nb, Ta) nanosheets via surface hydrogenation: a first-principles study

Abstract: Surface hydrogenation is revealed to be an effective way to achieve phase engineering in group V MSi2N4 materials, which undergo structural transitions in both central MN2 and surface SiN layers.

Cited by 1 publication

References 77 publications

First-principles investigation of two-dimensional iron molybdenum nitride: A double transition-metal cousin of MoSi2N4(MoN) monolayer with distinctive electronic and topological properties

First-principles investigation of two-dimensional iron molybdenum nitride: A double transition-metal cousin of MoSi2N4(MoN) monolayer with distinctive electronic and topological properties

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