Sumanene Monolayer of Pure Carbon: A Two‐Dimensional Kagome‐Analogy Lattice with Desirable Band Gap, Ultrahigh Carrier Mobility, and Strong Exciton Binding Energy
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Sumanene Monolayer of Pure Carbon: A Two‐Dimensional Kagome‐Analogy Lattice with Desirable Band Gap, Ultrahigh Carrier Mobility, and Strong Exciton Binding Energy
Sumanene Monolayer of Pure Carbon: A Two‐Dimensional Kagome‐Analogy Lattice with Desirable Band Gap, Ultrahigh Carrier Mobility, and Strong Exciton Binding Energy
Shi, X., Gao, W., Liu, H., Fu, Z., Zhang, G., Zhang, Y., Liu, T., Zhao, J., & Gao, J. (2022). Sumanene Monolayer of Pure Carbon: A Two‐Dimensional Kagome‐Analogy Lattice with Desirable Band Gap, Ultrahigh Carrier Mobility, and Strong Exciton Binding Energy. Small, 18(40), 2203274. Portico. https://doi.org/10.1002/smll.202203274
Abstract:
The design and synthesis of novel two-dimensional (2D) materials that possess
robust structural stability and unusual physical properties may open
up enormous opportunities for device and engineering applications. Herein,
a 2D sumanene lattice that can be regarded as a derivative of the conventional
Kagome lattice is proposed. The tight-binding analysis demonstrates
sumanene lattice contains two sets of Dirac cones and two sets of flat bands
near the Fermi surface, distinctively different from the Kagome lattice. Using
first-principles calculations, two possible routines for the realization of stable
2D sumanene monolayers (named α phase and β phase) are theoretically
suggested, and an α-sumanene monolayer can be experimentally synthesized
with chemical vapor deposition using C21H12 as a precursor. Small
binding energies on Au(111) surface (e.g., −37.86 eV Å−2 for α phase) signify
the possibility of their peel-off after growing on the noble metal substrate.
Importantly, the GW plus Bethe–Salpeter equation calculations demonstrate
both monolayers have moderate band gaps (1.94 eV for α) and ultrahigh
carrier mobilities (3.4 × 104 cm2 V−1 s−1 for α). In particular, the α-sumanene
monolayer possesses a strong exciton binding energy of 0.73 eV, suggesting
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Funding Info:
This research / project is supported by the National Research Foundation - Competitive Research Programme
Grant Reference no. : NRF-CRP24-2020-0002
This research / project is supported by the A*STAR - SERC Central Research Fund (CRF)
Grant Reference no. :
This work is supported by the National Natural Science Foundation
of China (Grant No. 12074053, 91961204, 12004064), XinLiaoYingCai
Project of Liaoning province, China (XLYC1907163, XLYC1905014)
and by the Fundamental Research Funds for the Central Universities
(DUT21LAB112). The authors also acknowledge Computers supporting
from Shanghai Supercomputer Center, DUT supercomputing center,
and Tianhe supercomputer of Tianjin center.