Interlayer-Decoupled Sc-Based Mxene with High Carrier Mobility and Strong Light-Harvesting Ability

Liujiang Zhou, Yu Zhang, Zhiwen Zhuo, Amanda J. Neukirch, Sergei Tretiak

Research output: Contribution to journalArticlepeer-review

27 Citations (Scopus)


Two-dimensional (2D) van der Waals (vdW) layered materials offer a unique combination of electronic and structural properties attractive for technological applications. Most of them show strong vdW interactions, which lead to interlayer-coupled optoelectronic properties due to quantum confinement. Here we present a systematic computational study of one Mxene, 2D double-metal-layered scandium chloride carbides (Sc 2 CCl 2 ). Unlike conventional quantum-confined nanosystems, 2D Sc 2 CCl 2 exhibits weak vdW interactions with robust interlayer-decoupled optoelectronic properties and extremely high and anisotropic carrier mobilities of about 1-4.5 × 10 4 cm 2 V -1 s -1 that consequently produce comparatively large drain currents. Specifically, the 2D Sc 2 CCl 2 family has strong light-harvesting ability and could be utilized as efficient donor materials in excitonic solar cells. Overall, in combination with high structural stability against ambient conditions, interlayer-decoupled robust optoelectronic properties potentially relax the requirements for the fabrication of high-quality monolayers and for selection of suitable substrates and suggest promising next-generation optoelectronic applications.

Original languageEnglish
Pages (from-to)6915-6920
Number of pages6
JournalJournal of Physical Chemistry Letters
Issue number23
Publication statusPublished - 6 Dec 2018
Externally publishedYes


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