Tuning the Sharing Modes and Composition in a Tetrahedral GeX 2 (X = S, Se) System via One-Dimensional Confinement

The packing and connectivity of tetrahedral units are central themes in the structural and electronic properties of a host of solids. Here, we report one-dimensional (1D) chains of GeX (X = S or Se) with modification of the tetrahedral connectivity at the single-chain limit. Precise tuning of the ed...

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Published inACS nano Vol. 17; no. 9; pp. 8734 - 8742
Main Authors Lee, Yangjin, Choi, Young Woo, Lee, Kihyun, Song, Chengyu, Ercius, Peter, Cohen, Marvin L, Kim, Kwanpyo, Zettl, Alex
Format Journal Article
LanguageEnglish
Published United States American Chemical Society 09.05.2023
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Abstract The packing and connectivity of tetrahedral units are central themes in the structural and electronic properties of a host of solids. Here, we report one-dimensional (1D) chains of GeX (X = S or Se) with modification of the tetrahedral connectivity at the single-chain limit. Precise tuning of the edge- and corner-sharing modes between GeX blocks is achieved by diameter-dependent 1D confinement inside a carbon nanotube. Atomic-resolution scanning transmission electron microscopy directly confirms the existence of two distinct types of GeX chains. Density functional theory calculations corroborate the diameter-dependent stability of the system and reveal an intriguing electronic structure that sensitively depends on tetrahedral connectivity and composition. GeS Se compound chains are also realized, which demonstrate the tunability of the system's semiconducting properties through composition engineering.
AbstractList The packing and connectivity of tetrahedral units are central themes in the structural and electronic properties of a host of solids. Here, we report one-dimensional (1D) chains of GeX (X = S or Se) with modification of the tetrahedral connectivity at the single-chain limit. Precise tuning of the edge- and corner-sharing modes between GeX blocks is achieved by diameter-dependent 1D confinement inside a carbon nanotube. Atomic-resolution scanning transmission electron microscopy directly confirms the existence of two distinct types of GeX chains. Density functional theory calculations corroborate the diameter-dependent stability of the system and reveal an intriguing electronic structure that sensitively depends on tetrahedral connectivity and composition. GeS Se compound chains are also realized, which demonstrate the tunability of the system's semiconducting properties through composition engineering.
The packing and connectivity of tetrahedral units are central themes in the structural and electronic properties of a host of solids. Here, we report one-dimensional (1D) chains of GeX2 (X = S or Se) with modification of the tetrahedral connectivity at the single-chain limit. Precise tuning of the edge- and corner-sharing modes between GeX2 blocks is achieved by diameter-dependent 1D confinement inside a carbon nanotube. Atomic-resolution scanning transmission electron microscopy directly confirms the existence of two distinct types of GeX2 chains. Density functional theory calculations corroborate the diameter-dependent stability of the system and reveal an intriguing electronic structure that sensitively depends on tetrahedral connectivity and composition. GeS2(1–x)Se2x compound chains are also realized, which demonstrate the tunability of the system’s semiconducting properties through composition engineering.
Author Zettl, Alex
Song, Chengyu
Lee, Kihyun
Lee, Yangjin
Ercius, Peter
Choi, Young Woo
Cohen, Marvin L
Kim, Kwanpyo
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crossref_primary_10_1021_acsnano_4c04184
crossref_primary_10_1103_PhysRevB_109_195413
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Title Tuning the Sharing Modes and Composition in a Tetrahedral GeX 2 (X = S, Se) System via One-Dimensional Confinement
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