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Title: Quaternary 2D Transition Metal Dichalcogenides (TMDs) with Tunable Bandgap [Quaternary Two-Dimensional (2D) Transition Metal Dichalcogenides (TMDs) with Tunable Bandgap]

Alloying/doping in 2D material is important due to wide range bandgap tunability. Increasing the number of components would increase the degree of freedom which can provide more flexibility in tuning the bandgap and also reduces the growth temperature. Here, synthesis of quaternary alloys Mo xW 1–xS 2ySe 2(1–y) is reported using chemical vapor deposition. The composition of alloys is tuned by changing the growth temperatures. As a result, the bandgap can be tuned which varies from 1.61 to 1.85 eV. In conclusion, the detailed theoretical calculation supports the experimental observation and shows a possibility of wide tunability of bandgap.
Authors:
 [1] ;  [1] ; ORCiD logo [2] ;  [1] ;  [1] ;  [1] ; ORCiD logo [2] ;  [1] ;  [1] ;  [1]
  1. Rice Univ., Houston, TX (United States)
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Publication Date:
Grant/Contract Number:
AC05-00OR22725
Type:
Accepted Manuscript
Journal Name:
Advanced Materials
Additional Journal Information:
Journal Volume: 29; Journal Issue: 35; Journal ID: ISSN 0935-9648
Publisher:
Wiley
Research Org:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 2D materials; DFT calculations; electron microscopy; optical bandgap; quaternary system
OSTI Identifier:
1471942

Susarla, Sandhya, Kutana, Alex, Hachtel, Jordan A., Kochat, Vidya, Apte, Amey, Vajtai, Robert, Idrobo, Juan Carlos, Yakobson, Boris I., Tiwary, Chandra Sekhar, and Ajayan, Pulickel M.. Quaternary 2D Transition Metal Dichalcogenides (TMDs) with Tunable Bandgap [Quaternary Two-Dimensional (2D) Transition Metal Dichalcogenides (TMDs) with Tunable Bandgap]. United States: N. p., Web. doi:10.1002/adma.201702457.
Susarla, Sandhya, Kutana, Alex, Hachtel, Jordan A., Kochat, Vidya, Apte, Amey, Vajtai, Robert, Idrobo, Juan Carlos, Yakobson, Boris I., Tiwary, Chandra Sekhar, & Ajayan, Pulickel M.. Quaternary 2D Transition Metal Dichalcogenides (TMDs) with Tunable Bandgap [Quaternary Two-Dimensional (2D) Transition Metal Dichalcogenides (TMDs) with Tunable Bandgap]. United States. doi:10.1002/adma.201702457.
Susarla, Sandhya, Kutana, Alex, Hachtel, Jordan A., Kochat, Vidya, Apte, Amey, Vajtai, Robert, Idrobo, Juan Carlos, Yakobson, Boris I., Tiwary, Chandra Sekhar, and Ajayan, Pulickel M.. 2017. "Quaternary 2D Transition Metal Dichalcogenides (TMDs) with Tunable Bandgap [Quaternary Two-Dimensional (2D) Transition Metal Dichalcogenides (TMDs) with Tunable Bandgap]". United States. doi:10.1002/adma.201702457. https://www.osti.gov/servlets/purl/1471942.
@article{osti_1471942,
title = {Quaternary 2D Transition Metal Dichalcogenides (TMDs) with Tunable Bandgap [Quaternary Two-Dimensional (2D) Transition Metal Dichalcogenides (TMDs) with Tunable Bandgap]},
author = {Susarla, Sandhya and Kutana, Alex and Hachtel, Jordan A. and Kochat, Vidya and Apte, Amey and Vajtai, Robert and Idrobo, Juan Carlos and Yakobson, Boris I. and Tiwary, Chandra Sekhar and Ajayan, Pulickel M.},
abstractNote = {Alloying/doping in 2D material is important due to wide range bandgap tunability. Increasing the number of components would increase the degree of freedom which can provide more flexibility in tuning the bandgap and also reduces the growth temperature. Here, synthesis of quaternary alloys MoxW1–xS2ySe2(1–y) is reported using chemical vapor deposition. The composition of alloys is tuned by changing the growth temperatures. As a result, the bandgap can be tuned which varies from 1.61 to 1.85 eV. In conclusion, the detailed theoretical calculation supports the experimental observation and shows a possibility of wide tunability of bandgap.},
doi = {10.1002/adma.201702457},
journal = {Advanced Materials},
number = 35,
volume = 29,
place = {United States},
year = {2017},
month = {7}
}

Works referenced in this record:

Two-Dimensional Transition Metal Dichalcogenide Alloys: Stability and Electronic Properties
journal, November 2012
  • Komsa, Hannu-Pekka; Krasheninnikov, Arkady V.
  • The Journal of Physical Chemistry Letters, Vol. 3, Issue 23, p. 3652-3656
  • DOI: 10.1021/jz301673x

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996

Monolayer semiconducting transition metal dichalcogenide alloys: Stability and band bowing
journal, April 2013
  • Kang, Jun; Tongay, Sefaattin; Li, Jingbo
  • Journal of Applied Physics, Vol. 113, Issue 14, Article No. 143703
  • DOI: 10.1063/1.4799126

Band Engineering for Novel Two-Dimensional Atomic Layers
journal, December 2014