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Title: Janus Monolayer Transition-Metal Dichalcogenides

In this work, the crystal configuration of sandwiched S–Mo–Se structure (Janus SMoSe) at the monolayer limit has been synthesized and carefully characterized. By controlled sulfurization of monolayer MoSe 2, the top layer of selenium atoms is substituted by sulfur atoms, while the bottom selenium layer remains intact. Furthermore, the structure of this material is systematically investigated by Raman, photoluminescence, transmission electron microscopy, and X-ray photoelectron spectroscopy and confirmed by time-of-flight secondary ion mass spectrometry. Density functional theory (DFT) calculations are performed to better understand the Raman vibration modes and electronic structures of the Janus SMoSe monolayer, which are found to correlate well with corresponding experimental results. Finally, high basal plane hydrogen evolution reaction activity is discovered for the Janus monolayer, and DFT calculation implies that the activity originates from the synergistic effect of the intrinsic defects and structural strain inherent in the Janus structure.
Authors:
ORCiD logo [1] ;  [1] ;  [2] ;  [3] ;  [3] ;  [1] ;  [1] ;  [1] ;  [3] ; ORCiD logo [2] ;  [1]
  1. Rice Univ., Houston, TX (United States). Dept. of Materials Science and Engineering
  2. Univ. of Texas, Austin, TX (United States). Dept. of Mechanical Engineering
  3. Univ. of Pennsylvania, Philadelphia, PA (United States). Dept. of Materials Science and Engineering
Publication Date:
Grant/Contract Number:
AC02-76SF00515; EFRI-1433467
Type:
Accepted Manuscript
Journal Name:
ACS Nano
Additional Journal Information:
Journal Volume: 11; Journal Issue: 8; Journal ID: ISSN 1936-0851
Publisher:
American Chemical Society (ACS)
Research Org:
SLAC National Accelerator Lab., Menlo Park, CA (United States)
Sponsoring Org:
USDOE; National Science Foundation (NSF)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; HER; Janus SMoSe; sulfurization; TOF-SIMS
OSTI Identifier:
1390290

Zhang, Jing, Jia, Shuai, Kholmanov, Iskandar, Dong, Liang, Er, Dequan, Chen, Weibing, Guo, Hua, Jin, Zehua, Shenoy, Vivek B., Shi, Li, and Lou, Jun. Janus Monolayer Transition-Metal Dichalcogenides. United States: N. p., Web. doi:10.1021/acsnano.7b03186.
Zhang, Jing, Jia, Shuai, Kholmanov, Iskandar, Dong, Liang, Er, Dequan, Chen, Weibing, Guo, Hua, Jin, Zehua, Shenoy, Vivek B., Shi, Li, & Lou, Jun. Janus Monolayer Transition-Metal Dichalcogenides. United States. doi:10.1021/acsnano.7b03186.
Zhang, Jing, Jia, Shuai, Kholmanov, Iskandar, Dong, Liang, Er, Dequan, Chen, Weibing, Guo, Hua, Jin, Zehua, Shenoy, Vivek B., Shi, Li, and Lou, Jun. 2017. "Janus Monolayer Transition-Metal Dichalcogenides". United States. doi:10.1021/acsnano.7b03186. https://www.osti.gov/servlets/purl/1390290.
@article{osti_1390290,
title = {Janus Monolayer Transition-Metal Dichalcogenides},
author = {Zhang, Jing and Jia, Shuai and Kholmanov, Iskandar and Dong, Liang and Er, Dequan and Chen, Weibing and Guo, Hua and Jin, Zehua and Shenoy, Vivek B. and Shi, Li and Lou, Jun},
abstractNote = {In this work, the crystal configuration of sandwiched S–Mo–Se structure (Janus SMoSe) at the monolayer limit has been synthesized and carefully characterized. By controlled sulfurization of monolayer MoSe2, the top layer of selenium atoms is substituted by sulfur atoms, while the bottom selenium layer remains intact. Furthermore, the structure of this material is systematically investigated by Raman, photoluminescence, transmission electron microscopy, and X-ray photoelectron spectroscopy and confirmed by time-of-flight secondary ion mass spectrometry. Density functional theory (DFT) calculations are performed to better understand the Raman vibration modes and electronic structures of the Janus SMoSe monolayer, which are found to correlate well with corresponding experimental results. Finally, high basal plane hydrogen evolution reaction activity is discovered for the Janus monolayer, and DFT calculation implies that the activity originates from the synergistic effect of the intrinsic defects and structural strain inherent in the Janus structure.},
doi = {10.1021/acsnano.7b03186},
journal = {ACS Nano},
number = 8,
volume = 11,
place = {United States},
year = {2017},
month = {8}
}

Works referenced in this record:

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journal, March 2012
  • Lee, Yi-Hsien; Zhang, Xin-Quan; Zhang, Wenjing
  • Advanced Materials, Vol. 24, Issue 17, p. 2320-2325
  • DOI: 10.1002/adma.201104798

Two-dimensional ferroelectric films
journal, February 1998
  • Bune, A. V.; Fridkin, V. M.; Ducharme, Stephen
  • Nature, Vol. 391, Issue 6670, p. 874-877
  • DOI: 10.1038/36069