Half-Auxeticity and Anisotropic Transport in Pd Decorated Two-Dimensional Boron Sheets

Fengxian Ma; Yalong Jiao; Weikang Wu; Ying Liu; Shengyuan A. Yang; Thomas Heine

doi:10.1021/acs.nanolett.0c04154

Half-Auxeticity and Anisotropic Transport in Pd Decorated Two-Dimensional Boron Sheets

Fengxian Ma, Yalong Jiao, Weikang Wu, Ying Liu, Shengyuan A. Yang, Thomas Heine

Department of Chemistry

Research output: Contribution to journal › Article › peer-review

16 Citations (Scopus)

Abstract

Upon strain, most materials shrink normal to the direction of applied strain. Similarly, if a material is compressed, it will expand in the direction orthogonal to the pressure. Few materials, those of negative Poisson ratio, show the opposite behavior. Here, we show an unprecedented feature, a material that expands normal to the direction of stress, regardless if it is strained or compressed. Such behavior, namely, half-auxeticity, is demonstrated for a borophene sheet stabilized by decorating Pd atoms. We explore Pd-decorated borophene, identify three stable phases of which one has this peculiar property of half auxeticity. After carefully analyzing stability and mechanical and electronic properties we explore the origin of this very uncommon behavior and identify it as a structural feature that may also be employed to design further 2D nanomaterials.

Original language	English
Pages (from-to)	2356-2362
Number of pages	7
Journal	Nano letters
Volume	21
Issue number	6
DOIs	https://doi.org/10.1021/acs.nanolett.0c04154
Publication status	Published - 2021 Mar 24

Bibliographical note

Funding Information:
F.M. acknowledges the support from the National Natural Science Foundation of China (Grants 11847017 and 11904077) and Science Foundation of Hebei Normal University (Grant L2019B09) and the financial support program from Hebei Province (Grant E2019050018). Y.J. appreciates the funding from the Alexander von Humboldt Foundation. S.A.Y. is supported by the Singapore MOE AcRF Tier 2 (Grant MOE2019-T2-1-001). The high-performance computer center of TU Dresden (ZIH) is thanked for computer time.

Publisher Copyright:
© 2021 American Chemical Society. All rights reserved.

All Science Journal Classification (ASJC) codes

Bioengineering
Chemistry(all)
Materials Science(all)
Condensed Matter Physics
Mechanical Engineering

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10.1021/acs.nanolett.0c04154

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title = "Half-Auxeticity and Anisotropic Transport in Pd Decorated Two-Dimensional Boron Sheets",

abstract = "Upon strain, most materials shrink normal to the direction of applied strain. Similarly, if a material is compressed, it will expand in the direction orthogonal to the pressure. Few materials, those of negative Poisson ratio, show the opposite behavior. Here, we show an unprecedented feature, a material that expands normal to the direction of stress, regardless if it is strained or compressed. Such behavior, namely, half-auxeticity, is demonstrated for a borophene sheet stabilized by decorating Pd atoms. We explore Pd-decorated borophene, identify three stable phases of which one has this peculiar property of half auxeticity. After carefully analyzing stability and mechanical and electronic properties we explore the origin of this very uncommon behavior and identify it as a structural feature that may also be employed to design further 2D nanomaterials.",

author = "Fengxian Ma and Yalong Jiao and Weikang Wu and Ying Liu and Yang, {Shengyuan A.} and Thomas Heine",

note = "Funding Information: F.M. acknowledges the support from the National Natural Science Foundation of China (Grants 11847017 and 11904077) and Science Foundation of Hebei Normal University (Grant L2019B09) and the financial support program from Hebei Province (Grant E2019050018). Y.J. appreciates the funding from the Alexander von Humboldt Foundation. S.A.Y. is supported by the Singapore MOE AcRF Tier 2 (Grant MOE2019-T2-1-001). The high-performance computer center of TU Dresden (ZIH) is thanked for computer time. Publisher Copyright: {\textcopyright} 2021 American Chemical Society. All rights reserved.",

year = "2021",

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doi = "10.1021/acs.nanolett.0c04154",

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AU - Yang, Shengyuan A.

AU - Heine, Thomas

N1 - Funding Information: F.M. acknowledges the support from the National Natural Science Foundation of China (Grants 11847017 and 11904077) and Science Foundation of Hebei Normal University (Grant L2019B09) and the financial support program from Hebei Province (Grant E2019050018). Y.J. appreciates the funding from the Alexander von Humboldt Foundation. S.A.Y. is supported by the Singapore MOE AcRF Tier 2 (Grant MOE2019-T2-1-001). The high-performance computer center of TU Dresden (ZIH) is thanked for computer time. Publisher Copyright: © 2021 American Chemical Society. All rights reserved.

PY - 2021/3/24

Y1 - 2021/3/24

N2 - Upon strain, most materials shrink normal to the direction of applied strain. Similarly, if a material is compressed, it will expand in the direction orthogonal to the pressure. Few materials, those of negative Poisson ratio, show the opposite behavior. Here, we show an unprecedented feature, a material that expands normal to the direction of stress, regardless if it is strained or compressed. Such behavior, namely, half-auxeticity, is demonstrated for a borophene sheet stabilized by decorating Pd atoms. We explore Pd-decorated borophene, identify three stable phases of which one has this peculiar property of half auxeticity. After carefully analyzing stability and mechanical and electronic properties we explore the origin of this very uncommon behavior and identify it as a structural feature that may also be employed to design further 2D nanomaterials.

AB - Upon strain, most materials shrink normal to the direction of applied strain. Similarly, if a material is compressed, it will expand in the direction orthogonal to the pressure. Few materials, those of negative Poisson ratio, show the opposite behavior. Here, we show an unprecedented feature, a material that expands normal to the direction of stress, regardless if it is strained or compressed. Such behavior, namely, half-auxeticity, is demonstrated for a borophene sheet stabilized by decorating Pd atoms. We explore Pd-decorated borophene, identify three stable phases of which one has this peculiar property of half auxeticity. After carefully analyzing stability and mechanical and electronic properties we explore the origin of this very uncommon behavior and identify it as a structural feature that may also be employed to design further 2D nanomaterials.

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Half-Auxeticity and Anisotropic Transport in Pd Decorated Two-Dimensional Boron Sheets

Abstract

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