Journal
NANOSCALE
Volume 12, Issue 6, Pages 3795-3802Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c9nr10806h
Keywords
-
Categories
Funding
- National Key Research and Development Program of China [2016YFB0700100]
- National Natural Science Foundation of China [11604346, 21671195, 21875271, 51872302]
- K.C. Wong Education Foundation [rczx0800]
- Foundation of State Key Laboratory of Coal Conversion [J18-19-301]
- Harbin Engineering University
Ask authors/readers for more resources
As a new family of two-dimensional materials, MXenes have attracted increasing attention in recent years due to their widespread potential applications. In contrast to early transition metals in convention, here we expand the M element of MXene to the rare earth element lutetium. Based on the first-principles density functional calculations, the bare lutetium-based carbide MXene Lu2C is determined to be stabilized in the T-type configuration. Furthermore, both fluorine and hydroxyl terminated configurations are found to be semiconductors, and their band gaps are suitable for use in semiconductors and visible and near-infrared optical devices. The Lu2C(OH)(2) configuration shows a direct band gap and possesses an ultralow work function of 1.4 eV. Both Lu2CT2 (T = F, OH) MXenes exhibit high carrier mobilities. Particularly, the electron mobility of the Lu2C(OH)(2) MXene is found to be anisotropic at room temperature, with values as high as 95.19 x 10(3) and 217.1 x 10(3) cm(2) V-1 center dot s(-1) in the zigzag and armchair directions, respectively, which makes Lu2C(OH)(2) a promising material for nanodevices. Based on these predicted properties, our work widens the range of MXene materials and their applications in semiconducting devices.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available