Enhanced piezoelectricity of monolayer phosphorene oxides: a theoretical study

文献情報

出版日 2017-09-26

DOI 10.1039/C7CP05669A

インパクトファクター 3.676

著者

Guang-Ping Zheng, Jingwei Gao, Yuanxu Wang, Yuchen Ma

原文を見る

要旨

Two-dimensional (2D) piezoelectric materials have potential applications in miniaturized sensors and energy conversion devices. In this work, using first-principles simulations at different scales, we systematically study the electronic structures and piezoelectricity of a series of 2D monolayer phosphorene oxides (POs). Our calculations show that the monolayer POs have tunable band gaps along with remarkable piezoelectric properties. The calculated piezoelectric coefficient d11 of 54 pm V−1 in POs is much larger than those of 2D transition metal dichalcogenide monolayers and the widely used bulk α-quartz and AlN, and almost reaches the level of the piezoelectric effect in recently discovered 2D GeS. Furthermore, two other considerable piezoelectric coefficients, i.e., d31 and d26 with values of −10 pm V−1 and 21 pm V−1, respectively, are predicted in some monolayer POs. We also examine the correlation between the piezoelectric coefficients and energy stability. The enhancement of piezoelectricity for monolayer phosphorene by oxidation will broaden the applications of phosphorene and phosphorene derivatives in nano-sized electronic and piezotronic devices.

掲載誌

Physical Chemistry Chemical Physics

CiteScore: 5.5

自己引用率: 10.3%

年間論文数: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

Enhanced piezoelectricity of monolayer phosphorene oxides: a theoretical study

文献情報

おすすめジャーナル

関連文献

The effects of lignin source and extraction on the composition and properties of biorefined depolymerization products

Contents list

Nanoporous oxide electrodes for energy conversion and storage devices

Moringa pod derived antioxidant dietary fibre as a quality enhancer in goat meat nuggets

Hexafluorophosphate ionic liquid-modified silica sorbent for selective separation and preconcentration of Pb2+, Cd2+, and Cr3+ in water samples

Front cover

Engineering Pt nanoclusters on CeO2 surface with abundant point defects by in situ confined-domain encapsulation strategy for the catalytic elimination of VOCs

Recent advances in semiconductor heterojunctions: a detailed review of the fundamentals of photocatalysis, charge transfer mechanism and materials

Digitalization of the agro-food sector for achieving sustainable development goals: a review

Inside back cover

こちらもおすすめ

環戊烷-1,3-二甲酸甲酯はどのように合成されますか？

4-メトキシ-1,2,3-スチアゼ-3,5-ジオンとは何ですか？

プロスタグランジンA2について「に適用される法規ガイドラインは何ですか？'

4-アミノ-1-ナフタレン sulfonic 酸についての物理化学的性質は何ですか？

N-GlcNAc-生物素を取り扱う際の実験室安全事項は何ですか？

3-アミノメチルフローラノピペリジン-1-カルボニル酸テルブチルエステルとは何ですか？

6-溴-1-甲基-1H-ベンゾ[d][1,2,3]三氮唑はどのように合成されますか？

4-硫代尿苷はどのように合成されますか？

ブレインナトリユリックペプチド32ラットとは何ですか？

1-(3-氮杂啶)-4-羟基哌啶双盐酸盐の物理化学的性質は何ですか？

掲載誌

Physical Chemistry Chemical Physics

おすすめ化合物

N-[(5,6-Dichloro-1H-benzimidazol-2-yl)methyl]-9-(1-methyl-1H-pyrazol-4-yl)-2-(4-morpholinyl)-9H-purin-6-amine

N-[(1S,2R,4S)-2-Amino-4-(dimethylcarbamoyl)cyclohexyl]-N'-(5-chloro-2-pyridinyl)ethanediamide

Diisopropylphosphoramidous dichloride

2-Methyl-2-propanyl (3R,5S)-6-chloro-3,5-dihydroxyhexanoate

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-beta-phenyl-L-phenylalanine

おすすめサプライヤー