Structure of χ3-Borophene Studied by Total-Reflection High-Energy Positron Diffraction (TRHEPD)

Yuki Tsujikawa; Makoto Shoji; Masashi Hamada; Tomoya Takeda; Izumi Mochizuki; Toshio Hyodo; Iwao Matsuda; Akari Takayama

doi:10.3390/molecules27134219

Structure of χ3-Borophene Studied by Total-Reflection High-Energy Positron Diffraction (TRHEPD)

Yuki Tsujikawa^*, Makoto Shoji, Masashi Hamada, Tomoya Takeda, Izumi Mochizuki, Toshio Hyodo, Iwao Matsuda, Akari Takayama

^*Corresponding author for this work

School of Advanced Science and Engineering

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

Abstract

We have investigated the structure of χ3-borophene on Ag(111), a monolayer material of boron atoms, via total-reflection high-energy positron diffraction (TRHEPD). By comparing the experimental rocking-curves with ones for several structures calculated by using dynamical diffraction theory, we confirmed that the χ3-borophene layer has a flat structure. The distance from the topmost layer of the metal crystal is 2.4 Å, which is consistent with results reported by X-ray standing wave-excited X-ray photoelectron spectroscopy. We also demonstrated that the in-plane structure of χ3-borophene is compatible with the theoretical predictions. These structural properties indicate that χ3-borophene belongs to a group of epitaxial monolayer sheets, such as graphene, which have weak interactions with the substrates.

Original language	English
Article number	4219
Journal	Molecules
Volume	27
Issue number	13
DOIs	https://doi.org/10.3390/molecules27134219
Publication status	Published - 2022 Jul 1

Keywords

TRHEPD
borophene
diffraction
monolayer material

ASJC Scopus subject areas

Analytical Chemistry
Chemistry (miscellaneous)
Molecular Medicine
Pharmaceutical Science
Drug Discovery
Physical and Theoretical Chemistry
Organic Chemistry

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10.3390/molecules27134219

Cite this

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title = "Structure of χ3-Borophene Studied by Total-Reflection High-Energy Positron Diffraction (TRHEPD)",

abstract = "We have investigated the structure of χ3-borophene on Ag(111), a monolayer material of boron atoms, via total-reflection high-energy positron diffraction (TRHEPD). By comparing the experimental rocking-curves with ones for several structures calculated by using dynamical diffraction theory, we confirmed that the χ3-borophene layer has a flat structure. The distance from the topmost layer of the metal crystal is 2.4 {\AA}, which is consistent with results reported by X-ray standing wave-excited X-ray photoelectron spectroscopy. We also demonstrated that the in-plane structure of χ3-borophene is compatible with the theoretical predictions. These structural properties indicate that χ3-borophene belongs to a group of epitaxial monolayer sheets, such as graphene, which have weak interactions with the substrates.",

keywords = "TRHEPD, borophene, diffraction, monolayer material",

author = "Yuki Tsujikawa and Makoto Shoji and Masashi Hamada and Tomoya Takeda and Izumi Mochizuki and Toshio Hyodo and Iwao Matsuda and Akari Takayama",

note = "Funding Information: Funding: This research was funded by JSPS KAKENHI Grants No. JP19H04398, JP21H05012 JP18H03874 and JP21J21993. This study was performed with the approval of the Photon Factory Program Advisory Committee of the Institute of Materials Structure Science (Proposal No. 2019G123, 2020G625, 2021T002). Y. T. thanks JSPS for its financial support. Funding Information: This research was funded by JSPS KAKENHI Grants No. JP19H04398, JP21H05012 JP18H03874 and JP21J21993. This study was performed with the approval of the Photon Factory Program Advisory Committee of the Institute of Materials Structure Science (Proposal No. 2019G123, 2020G625, 2021T002). Y. T. thanks JSPS for its financial support. Publisher Copyright: {\textcopyright} 2022 by the authors. Licensee MDPI, Basel, Switzerland.",

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AU - Tsujikawa, Yuki

AU - Shoji, Makoto

AU - Hamada, Masashi

AU - Takeda, Tomoya

AU - Mochizuki, Izumi

AU - Hyodo, Toshio

AU - Matsuda, Iwao

AU - Takayama, Akari

N1 - Funding Information: Funding: This research was funded by JSPS KAKENHI Grants No. JP19H04398, JP21H05012 JP18H03874 and JP21J21993. This study was performed with the approval of the Photon Factory Program Advisory Committee of the Institute of Materials Structure Science (Proposal No. 2019G123, 2020G625, 2021T002). Y. T. thanks JSPS for its financial support. Funding Information: This research was funded by JSPS KAKENHI Grants No. JP19H04398, JP21H05012 JP18H03874 and JP21J21993. This study was performed with the approval of the Photon Factory Program Advisory Committee of the Institute of Materials Structure Science (Proposal No. 2019G123, 2020G625, 2021T002). Y. T. thanks JSPS for its financial support. Publisher Copyright: © 2022 by the authors. Licensee MDPI, Basel, Switzerland.

PY - 2022/7/1

Y1 - 2022/7/1

N2 - We have investigated the structure of χ3-borophene on Ag(111), a monolayer material of boron atoms, via total-reflection high-energy positron diffraction (TRHEPD). By comparing the experimental rocking-curves with ones for several structures calculated by using dynamical diffraction theory, we confirmed that the χ3-borophene layer has a flat structure. The distance from the topmost layer of the metal crystal is 2.4 Å, which is consistent with results reported by X-ray standing wave-excited X-ray photoelectron spectroscopy. We also demonstrated that the in-plane structure of χ3-borophene is compatible with the theoretical predictions. These structural properties indicate that χ3-borophene belongs to a group of epitaxial monolayer sheets, such as graphene, which have weak interactions with the substrates.

AB - We have investigated the structure of χ3-borophene on Ag(111), a monolayer material of boron atoms, via total-reflection high-energy positron diffraction (TRHEPD). By comparing the experimental rocking-curves with ones for several structures calculated by using dynamical diffraction theory, we confirmed that the χ3-borophene layer has a flat structure. The distance from the topmost layer of the metal crystal is 2.4 Å, which is consistent with results reported by X-ray standing wave-excited X-ray photoelectron spectroscopy. We also demonstrated that the in-plane structure of χ3-borophene is compatible with the theoretical predictions. These structural properties indicate that χ3-borophene belongs to a group of epitaxial monolayer sheets, such as graphene, which have weak interactions with the substrates.

KW - TRHEPD

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Structure of χ3-Borophene Studied by Total-Reflection High-Energy Positron Diffraction (TRHEPD)

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Keywords

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