Anomalous doping effect in black phosphorene using first-principles calculations Article Swipe

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Weiyang Yu , Zhili Zhu , Chunyao Niu , Chong Li , Jun‐Hyung Cho , Yu Jia ·

YOU? · · 2015 · Open Access · · DOI: https://doi.org/10.1039/c5cp01732g

Using first-principles density functional theory calculations, we investigate the geometries, electronic structures, and thermodynamic stabilities of substitutionally doped phosphorene sheets with group III, IV, V, and VI elements.

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Materials Science

Electron

Atomic Orbital

Condensed Matter Physics

Concepts

Phosphorene Dopant Doping Valence (chemistry) Materials science Electronic structure Electron Chemical physics Density functional theory Atomic orbital Condensed matter physics Valence electron Molecular physics Computational chemistry Chemistry Band gap Physics Optoelectronics Quantum mechanics Organic chemistry

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Type: article
Language: en
Landing Page: https://doi.org/10.1039/c5cp01732g
OA Status: green
Cited By: 117
References: 42
Related Works: 10
OpenAlex ID: https://openalex.org/W1920858751

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DOI: https://doi.org/10.1039/c5cp01732g

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Title: Anomalous doping effect in black phosphorene using first-principles calculations

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Type: article

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Language: en

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Publication year: 2015

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Publication date: 2015-01-01

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Authors: Weiyang Yu, Zhili Zhu, Chunyao Niu, Chong Li, Jun‐Hyung Cho, Yu Jia

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Landing page: https://doi.org/10.1039/c5cp01732g

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OA status: green

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OA URL: https://arxiv.org/pdf/1411.6239

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Concepts: Phosphorene, Dopant, Doping, Valence (chemistry), Materials science, Electronic structure, Electron, Chemical physics, Density functional theory, Atomic orbital, Condensed matter physics, Valence electron, Molecular physics, Computational chemistry, Chemistry, Band gap, Physics, Optoelectronics, Quantum mechanics, Organic chemistry

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Cited by: 117

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Citations by year (recent): 2025: 3, 2024: 6, 2023: 6, 2022: 12, 2021: 10

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References (count): 42

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