Issue 14, 2024

Two-dimensional fullerene-based monolayer materials assembled by C80 and Sc3N@C80

Abstract

Construction of two-dimensional (2D) materials using fullerenes as building blocks has attracted particular attention, primarily due to their ability to integrate desired functionalities into devices. However, realization of stable 2D phases of polymerized fullerenes remains a big challenge. Here, we propose two stable 2D monolayer phases with covalently bridged C80 cages, namely α-C80-2D and β-C80-2D, which are semiconductors with strong absorption in the long wave range and appreciable carrier mobility, respectively. The high stability originates from the bond energy released by the [2+2] cycloaddition polymerization of C80 is greater than the deformation energy of a cage. Starting from α-C80-2D, endohedral incorporation of the Sc3N molecule into each C80 cage leads to 2D semiconductors of α-Sc3N@C80-2D and α′-Sc3N@C80-2D, which possess exceptional stability and diverse physical properties, including unique electronic band structures, strong optical absorption in the visible (VIS) to near-infrared (NIR) regime, and anisotropic optical characteristics. Remarkably, a temperature-induced order–disorder transition in the α-Sc3N@C80-2D phase has been observed at elevated temperatures above 600 K. These findings expand the family of 2D carbon materials and provide useful clue for the potential applications of fullerene-assembled monolayer networks.

Graphical abstract: Two-dimensional fullerene-based monolayer materials assembled by C80 and Sc3N@C80

Supplementary files

Article information

Article type
Paper
Submitted
22 avq 2023
Accepted
23 fev 2024
First published
01 mar 2024
This article is Open Access
Creative Commons BY-NC license

Phys. Chem. Chem. Phys., 2024,26, 10841-10849

Two-dimensional fullerene-based monolayer materials assembled by C80 and Sc3N@C80

Y. Zhao, Y. Guo, Y. Zhao, X. Yu, N. Cherenda, Y. Su and J. Zhao, Phys. Chem. Chem. Phys., 2024, 26, 10841 DOI: 10.1039/D3CP04028C

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