Realizing high-temperature superconductivity in borophene with Dirac states assembled by kagome and honeycomb boron layers

Zhang, Yiming; Yuan, Xuanhao; Hao, Jian; Xu, Meiling; Li, Yinwei

doi:10.1016/j.mtphys.2023.101144

Cited by 5 publications

(2 citation statements)

References 48 publications

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“…Finally, the logarithmically averaged phonon frequency ω log and T c are calculated as 253.7 and 15.79 K, respectively, based on the Eliashberg spectral function α 2 F (ω) and Allen–Dynes-modified McMillan equation, which is comparable to β 12 borophene and larger than many two-dimensional boride materials (see Table ). − The possible superconductivity of ZrB 6 originates from the coupling of the in-plane vibration modes of the Zr/B atoms and the electrons of the B 2p orbitals.…”

Section: Resultsmentioning

confidence: 99%

Theoretical Prediction of Phonon-Mediated Superconductivity in 2D ZrB_x (x = 4 and 6) Monolayers

Liu,

Hou,

Duan

2023

J. Phys. Chem. C

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Two-dimensional (2D) superconductors have been studied extensively because of their potential applications in nanosuperconducting devices. Based on the crystal structure prediction method, we identified an energetically and dynamically stable monolayer structure for 2D ZrB6. Through first-principles calculations and comparison with the 2D ZrB4 monolayer, we discovered that both are intrinsic phonon-mediated superconductors, and ZrB6 has a higher superconducting transition temperature of 15.79 K, while ZrB4 has only 1.98 K. Further investigation revealed that the discrepancy is due to the varied coordinating environment. The structure of the pure plane formed by the larger coordination number inhibits the in-plane vibration of the Zr and B atoms in the ZrB4 monolayer. These findings will aid in the design and research of 2D high-temperature superconductors.

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Section: Resultsmentioning

confidence: 99%

Theoretical Prediction of Phonon-Mediated Superconductivity in 2D ZrB_x (x = 4 and 6) Monolayers

Liu,

Hou,

Duan

2023

J. Phys. Chem. C

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“…The intrinsic properties of two-dimensional (2D) semiconductors, , such as large specific surface area, short migration distance, unique electronic band structure, high carrier mobility, and high optical absorption coefficient in the solar wave range, − make them potential donors/acceptors to form type-II van der Waals heterojunctions in excitonic solar cells (XSCs) with high PCE. Various novel heterojunction structures with a donor bandgap of 1.0–1.7 eV and a small conduction band offset (0–0.3 eV) between the donor and acceptor (Δ E C ) have been proposed using structural design or high-throughput screening.…”

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confidence: 99%

A Bilayered Carbon with High Sunlight-Absorption Coefficient Designed by Flat-Band-Guided Strategy

Xu,

Zhai,

Wang

et al. 2023

ACS Materials Lett.

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The electronic band structure of a material determines its photovoltaic performance. In this work, we developed a methodology to explore desired semiconducting materials with a specialized designed fitness function for characterizing flat electronic bands via the generalization of our in-house-developed CALYPSO method. An intriguing bilayered carbon with sp3 - and sp2 -hybridized bonds, related to a bilayered reconstruction of (111) diamond or twisted graphene, was proposed and termed as two-dimensional diaphite. Two-dimensional diaphite has a direct electronic bandgap of 1.20 eV, with a high density of states near the band edges caused by the nearby flat bands, affording an extremely high sunlight-absorption coefficient. The type-II van der Waals heterojunctions composed of 2D diaphite and InSe monolayers yielded extraordinary performance for solar-to-electricity conversion with a theoretical power conversion efficiency of up to a record-breaking value of 24.1%, making it a potential candidate for high-efficiency and ultrathin photovoltaic devices. Our results show that the approach proposed herein is a feasible way of searching for functional semiconducting materials with specialized characteristic energy-band structures.

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Borophene: Synthesis, Chemistry, and Electronic Properties

Wang,

Choyal,

Schultz

et al. 2024

ChemPlusChem

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As a neighbor of carbon in the periodic table, boron exhibits versatile structural and electronic configurations, with its allotropes predicted to possess intriguing structures and properties. Since the experimental realization of two‐dimensional (2D) boron sheets (borophene) on Ag(111) substrates in 2015, the experimental study of the realization and characteristics of borophene has drawn increasing interest. In this review, we summarize the synthesis and properties of borophene, which are mainly based on experimental results. First, the synthesis of borophene on different substrates, as well as borophane and bilayer borophene, featuring unique phases and properties, are discussed. Next, the chemistry of borophene, such as oxidation, hydrogenation, and its integration into heterostructures with other materials, is summarized. We also mention a few works focused on the physical properties of borophene, specifically its electronic properties. Lastly, the brief outlook addresses challenges toward practical applications of borophene and possible solutions.

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Realizing high-temperature superconductivity in borophene with Dirac states assembled by kagome and honeycomb boron layers

Cited by 5 publications

References 48 publications

Theoretical Prediction of Phonon-Mediated Superconductivity in 2D ZrB_x (x = 4 and 6) Monolayers

Theoretical Prediction of Phonon-Mediated Superconductivity in 2D ZrB_x (x = 4 and 6) Monolayers

A Bilayered Carbon with High Sunlight-Absorption Coefficient Designed by Flat-Band-Guided Strategy

Borophene: Synthesis, Chemistry, and Electronic Properties

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Realizing high-temperature superconductivity in borophene with Dirac states assembled by kagome and honeycomb boron layers

Cited by 5 publications

References 48 publications

Theoretical Prediction of Phonon-Mediated Superconductivity in 2D ZrBx (x = 4 and 6) Monolayers

Theoretical Prediction of Phonon-Mediated Superconductivity in 2D ZrBx (x = 4 and 6) Monolayers

A Bilayered Carbon with High Sunlight-Absorption Coefficient Designed by Flat-Band-Guided Strategy

Borophene: Synthesis, Chemistry, and Electronic Properties

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Product

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Theoretical Prediction of Phonon-Mediated Superconductivity in 2D ZrB_x (x = 4 and 6) Monolayers

Theoretical Prediction of Phonon-Mediated Superconductivity in 2D ZrB_x (x = 4 and 6) Monolayers