Electronic and optical properties of group V one-dimensional materials with a square columnar structure: A first-principles investigation
In this paper, we propose a series of novel one-dimensional group V semiconductors with a square columnar structure, denoted as SC-As, SC-Sb, and SC-Bi, derived from SC-P. Phonon dispersion calculations reveal their dynamic stability, while first-principles calculations show versatilities in their e...
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Elsevier
2025-01-01
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| Series: | Results in Physics |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S2211379724007836 |
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| author | Pinbo Huang Zhiang Liu Ping Huang Yi Luo |
| author_facet | Pinbo Huang Zhiang Liu Ping Huang Yi Luo |
| author_sort | Pinbo Huang |
| collection | DOAJ |
| description | In this paper, we propose a series of novel one-dimensional group V semiconductors with a square columnar structure, denoted as SC-As, SC-Sb, and SC-Bi, derived from SC-P. Phonon dispersion calculations reveal their dynamic stability, while first-principles calculations show versatilities in their electronic and optical properties influenced by spin–orbit coupling. SC-P, SC-As, and SC-Sb exhibit strong sunlight absorption with intensities exceeding 3 × 105 cm−1, while SC-Bi demonstrates exceptional absorption spanning the entire solar flux spectrum. Furthermore, band alignment denotes that the SC-P is suitable for photocatalytic water splitting in both acidic and alkaline environments, while SC-As and SC-Sb work in alkaline conditions. These findings unveil the potential of these materials in solar energy harvesting and photocatalytic hydrogen production, advancing the development of group V 1D semiconductors. |
| format | Article |
| id | doaj-art-6c072458496b473eb0ab829ea77e932e |
| institution | Kabale University |
| issn | 2211-3797 |
| language | English |
| publishDate | 2025-01-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Results in Physics |
| spelling | doaj-art-6c072458496b473eb0ab829ea77e932e2025-01-18T05:04:34ZengElsevierResults in Physics2211-37972025-01-0168108098Electronic and optical properties of group V one-dimensional materials with a square columnar structure: A first-principles investigationPinbo Huang0Zhiang Liu1Ping Huang2Yi Luo3Chengdu Aeronautic Polytechnic, Chengdu, Sichuan 610100, China; Corresponding author.Chengdu Aeronautic Polytechnic, Chengdu, Sichuan 610100, ChinaChengdu Aeronautic Polytechnic, Chengdu, Sichuan 610100, ChinaSchool of Mechanical Engineering, Jiangsu Ocean University, Lianyungang, Jiangsu 222005, ChinaIn this paper, we propose a series of novel one-dimensional group V semiconductors with a square columnar structure, denoted as SC-As, SC-Sb, and SC-Bi, derived from SC-P. Phonon dispersion calculations reveal their dynamic stability, while first-principles calculations show versatilities in their electronic and optical properties influenced by spin–orbit coupling. SC-P, SC-As, and SC-Sb exhibit strong sunlight absorption with intensities exceeding 3 × 105 cm−1, while SC-Bi demonstrates exceptional absorption spanning the entire solar flux spectrum. Furthermore, band alignment denotes that the SC-P is suitable for photocatalytic water splitting in both acidic and alkaline environments, while SC-As and SC-Sb work in alkaline conditions. These findings unveil the potential of these materials in solar energy harvesting and photocatalytic hydrogen production, advancing the development of group V 1D semiconductors.http://www.sciencedirect.com/science/article/pii/S2211379724007836Group V semiconductorsOne-dimensional materialsSquare columnar structureSpin–orbit couplingPhotocatalytic water splittingSunlight absorption |
| spellingShingle | Pinbo Huang Zhiang Liu Ping Huang Yi Luo Electronic and optical properties of group V one-dimensional materials with a square columnar structure: A first-principles investigation Results in Physics Group V semiconductors One-dimensional materials Square columnar structure Spin–orbit coupling Photocatalytic water splitting Sunlight absorption |
| title | Electronic and optical properties of group V one-dimensional materials with a square columnar structure: A first-principles investigation |
| title_full | Electronic and optical properties of group V one-dimensional materials with a square columnar structure: A first-principles investigation |
| title_fullStr | Electronic and optical properties of group V one-dimensional materials with a square columnar structure: A first-principles investigation |
| title_full_unstemmed | Electronic and optical properties of group V one-dimensional materials with a square columnar structure: A first-principles investigation |
| title_short | Electronic and optical properties of group V one-dimensional materials with a square columnar structure: A first-principles investigation |
| title_sort | electronic and optical properties of group v one dimensional materials with a square columnar structure a first principles investigation |
| topic | Group V semiconductors One-dimensional materials Square columnar structure Spin–orbit coupling Photocatalytic water splitting Sunlight absorption |
| url | http://www.sciencedirect.com/science/article/pii/S2211379724007836 |
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