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

Abstract

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 2CCl 2). Unlike conventional quantum-confined nanosystems, 2D Sc 2CCl 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 2CCl 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.

Authors:
ORCiD logo [1]; ORCiD logo [1];  [1];  [1]; ORCiD logo [2]
  1. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
  2. Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Univ. of Science and Technology of China, Hefei (China)
Publication Date:
Research Org.:
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1484656
Report Number(s):
LA-UR-18-25396
Journal ID: ISSN 1948-7185
Grant/Contract Number:  
89233218CNA000001
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Journal of Physical Chemistry Letters
Additional Journal Information:
Journal Volume: 9; Journal Issue: 23; Journal ID: ISSN 1948-7185
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Zhou, Liujiang, Zhang, Yu, Zhuo, Zhiwen, Neukirch, Amanda J., and Tretiak, Sergei. Interlayer-Decoupled Sc-Based Mxene with High Carrier Mobility and Strong Light-Harvesting Ability. United States: N. p., 2018. Web. doi:10.1021/acs.jpclett.8b03077.
Zhou, Liujiang, Zhang, Yu, Zhuo, Zhiwen, Neukirch, Amanda J., & Tretiak, Sergei. Interlayer-Decoupled Sc-Based Mxene with High Carrier Mobility and Strong Light-Harvesting Ability. United States. doi:10.1021/acs.jpclett.8b03077.
Zhou, Liujiang, Zhang, Yu, Zhuo, Zhiwen, Neukirch, Amanda J., and Tretiak, Sergei. Mon . "Interlayer-Decoupled Sc-Based Mxene with High Carrier Mobility and Strong Light-Harvesting Ability". United States. doi:10.1021/acs.jpclett.8b03077.
@article{osti_1484656,
title = {Interlayer-Decoupled Sc-Based Mxene with High Carrier Mobility and Strong Light-Harvesting Ability},
author = {Zhou, Liujiang and Zhang, Yu and Zhuo, Zhiwen and Neukirch, Amanda J. and Tretiak, Sergei},
abstractNote = {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 (Sc2CCl2). Unlike conventional quantum-confined nanosystems, 2D Sc2CCl2 exhibits weak vdW interactions with robust interlayer-decoupled optoelectronic properties and extremely high and anisotropic carrier mobilities of about 1–4.5 × 104 cm2 V–1 s–1 that consequently produce comparatively large drain currents. Specifically, the 2D Sc2CCl2 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.},
doi = {10.1021/acs.jpclett.8b03077},
journal = {Journal of Physical Chemistry Letters},
issn = {1948-7185},
number = 23,
volume = 9,
place = {United States},
year = {2018},
month = {11}
}

Journal Article:
Free Publicly Available Full Text
This content will become publicly available on November 19, 2019
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