DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

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

Abstract

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.

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:
Research Org.:
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1471942
Grant/Contract Number:  
AC05-00OR22725
Resource Type:
Accepted Manuscript
Journal Name:
Advanced Materials
Additional Journal Information:
Journal Volume: 29; Journal Issue: 35; Journal ID: ISSN 0935-9648
Publisher:
Wiley
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 2D materials; DFT calculations; electron microscopy; optical bandgap; quaternary system

Citation Formats

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., 2017. 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. https://doi.org/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. Fri . "Quaternary 2D Transition Metal Dichalcogenides (TMDs) with Tunable Bandgap [Quaternary Two-Dimensional (2D) Transition Metal Dichalcogenides (TMDs) with Tunable Bandgap]". United States. https://doi.org/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 = {Fri Jul 14 00:00:00 EDT 2017},
month = {Fri Jul 14 00:00:00 EDT 2017}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record

Citation Metrics:
Cited by: 171 works
Citation information provided by
Web of Science

Save / Share:

Works referenced in this record:

Transition-Metal Substitution Doping in Synthetic Atomically Thin Semiconductors
journal, September 2016

  • Gao, Jian; Kim, Young Duck; Liang, Liangbo
  • Advanced Materials, Vol. 28, Issue 44
  • DOI: 10.1002/adma.201601104

Phase engineering of transition metal dichalcogenides
journal, January 2015

  • Voiry, Damien; Mohite, Aditya; Chhowalla, Manish
  • Chemical Society Reviews, Vol. 44, Issue 9
  • DOI: 10.1039/C5CS00151J

Nanostructured transition metal dichalcogenide electrocatalysts for CO 2 reduction in ionic liquid
journal, July 2016


Engineering electronic properties of layered transition-metal dichalcogenide compounds through alloying
journal, January 2014

  • Kutana, Alex; Penev, Evgeni S.; Yakobson, Boris I.
  • Nanoscale, Vol. 6, Issue 11
  • DOI: 10.1039/C4NR00177J

Synthesis, Properties, and Applications of Transition Metal-Doped Layered Transition Metal Dichalcogenides
journal, March 2016


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

Electroluminescence and Photocurrent Generation from Atomically Sharp WSe 2 /MoS 2 Heterojunction p–n Diodes
journal, September 2014

  • Cheng, Rui; Li, Dehui; Zhou, Hailong
  • Nano Letters, Vol. 14, Issue 10
  • DOI: 10.1021/nl502075n

Generalized cluster description of multicomponent systems
journal, November 1984

  • Sanchez, J. M.; Ducastelle, F.; Gratias, D.
  • Physica A: Statistical Mechanics and its Applications, Vol. 128, Issue 1-2
  • DOI: 10.1016/0378-4371(84)90096-7

Ultrathin MoS 2(1– x ) Se 2 x Alloy Nanoflakes For Electrocatalytic Hydrogen Evolution Reaction
journal, March 2015

  • Gong, Qiufang; Cheng, Liang; Liu, Changhai
  • ACS Catalysis, Vol. 5, Issue 4
  • DOI: 10.1021/cs501970w

Doping against the Native Propensity of MoS 2 : Degenerate Hole Doping by Cation Substitution
journal, November 2014

  • Suh, Joonki; Park, Tae-Eon; Lin, Der-Yuh
  • Nano Letters, Vol. 14, Issue 12
  • DOI: 10.1021/nl503251h

Tunable Electronic Properties of Two-Dimensional Transition Metal Dichalcogenide Alloys: A First-Principles Prediction
journal, December 2013

  • Xi, Jinyang; Zhao, Tianqi; Wang, Dong
  • The Journal of Physical Chemistry Letters, Vol. 5, Issue 2
  • DOI: 10.1021/jz402375s

Temperature dependence of the energy gap in semiconductors
journal, March 1984

  • Manoogian, A.; Woolley, J. C.
  • Canadian Journal of Physics, Vol. 62, Issue 3
  • DOI: 10.1139/p84-043

Two-Dimensional Molybdenum Tungsten Diselenide Alloys: Photoluminescence, Raman Scattering, and Electrical Transport
journal, June 2014

  • Zhang, Mei; Wu, Juanxia; Zhu, Yiming
  • ACS Nano, Vol. 8, Issue 7
  • DOI: 10.1021/nn5020566

Structural Phase Transitions by Design in Monolayer Alloys
journal, December 2015


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


Chemical vapour deposition of rhenium disulfide and rhenium-doped molybdenum disulfide thin films using single-source precursors
journal, January 2016

  • Al-Dulaimi, Naktal; Lewis, David J.; Zhong, Xiang Li
  • Journal of Materials Chemistry C, Vol. 4, Issue 12
  • DOI: 10.1039/C6TC00489J

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

Two-dimensional material nanophotonics
journal, November 2014


Defects activated photoluminescence in two-dimensional semiconductors: interplay between bound, charged and free excitons
journal, September 2013

  • Tongay, Sefaattin; Suh, Joonki; Ataca, Can
  • Scientific Reports, Vol. 3, Issue 1
  • DOI: 10.1038/srep02657

Photonics and optoelectronics of 2D semiconductor transition metal dichalcogenides
journal, March 2016


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


How Much N-Doping Can Graphene Sustain?
journal, December 2014

  • Shi, Zhiming; Kutana, Alex; Yakobson, Boris I.
  • The Journal of Physical Chemistry Letters, Vol. 6, Issue 1
  • DOI: 10.1021/jz502093c

Electronics based on two-dimensional materials
journal, October 2014

  • Fiori, Gianluca; Bonaccorso, Francesco; Iannaccone, Giuseppe
  • Nature Nanotechnology, Vol. 9, Issue 10
  • DOI: 10.1038/nnano.2014.207

Ultrasensitive photodetectors based on monolayer MoS2
journal, June 2013

  • Lopez-Sanchez, Oriol; Lembke, Dominik; Kayci, Metin
  • Nature Nanotechnology, Vol. 8, Issue 7
  • DOI: 10.1038/nnano.2013.100

Stacking orders induced direct band gap in bilayer MoSe2-WSe2 lateral heterostructures
journal, August 2016

  • Hu, Xiaohui; Kou, Liangzhi; Sun, Litao
  • Scientific Reports, Vol. 6, Issue 1
  • DOI: 10.1038/srep31122

An electron microscope for the aberration-corrected era
journal, February 2008


Predicting Two-Dimensional Silicon Carbide Monolayers
journal, September 2015


Band Gap Engineering and Layer-by-Layer Mapping of Selenium-Doped Molybdenum Disulfide
journal, December 2013

  • Gong, Yongji; Liu, Zheng; Lupini, Andrew R.
  • Nano Letters, Vol. 14, Issue 2
  • DOI: 10.1021/nl4032296

Label-free in vivo molecular imaging of underglycosylated mucin-1 expression in tumour cells
journal, March 2015

  • Song, Xiaolei; Airan, Raag D.; Arifin, Dian R.
  • Nature Communications, Vol. 6, Issue 1
  • DOI: 10.1038/ncomms7719

Two-Dimensional Material Nanophotonics
text, January 2018


Two-Dimensional Material Nanophotonics
text, January 2014


Temperature dependence of the energy gap in semiconductors
journal, January 1979


Works referencing / citing this record:

2D Atomic Crystals: A Promising Solution for Next‐Generation Data Storage
journal, November 2018

  • Hou, Xiang; Chen, Huawei; Zhang, Zhenhan
  • Advanced Electronic Materials, Vol. 5, Issue 9
  • DOI: 10.1002/aelm.201800944

Manufacturing strategies for wafer-scale two-dimensional transition metal dichalcogenide heterolayers
journal, February 2020

  • Wang, Mengjing; Li, Hao; Ko, Tae-Jun
  • Journal of Materials Research, Vol. 35, Issue 11
  • DOI: 10.1557/jmr.2020.27

Emerging photoluminescence from defective vanadium diselenide nanosheets
journal, January 2018

  • Ghobadi, Amir; Ghobadi, Turkan Gamze Ulusoy; Okyay, Ali Kemal
  • Photonics Research, Vol. 6, Issue 4
  • DOI: 10.1364/prj.6.000244

Strain-Induced Structural Deformation Study of 2D Mo x W (1- x ) S 2
journal, January 2019

  • Susarla, Sandhya; Manimunda, Praveena; Jaques, Ygor M.
  • Advanced Materials Interfaces, Vol. 6, Issue 5
  • DOI: 10.1002/admi.201801262

Coordination assembly of 2D ordered organic metal chalcogenides with widely tunable electronic band gaps
journal, January 2020


Liquid Exfoliation of Icosahedral Quasicrystals
journal, April 2018

  • Yadav, Thakur Prasad; Woellner, Cristiano F.; Sinha, Shyam K.
  • Advanced Functional Materials, Vol. 28, Issue 26
  • DOI: 10.1002/adfm.201801181

On the Synthesis of Morphology‐Controlled Transition Metal Dichalcogenides via Chemical Vapor Deposition for Electrochemical Hydrogen Generation
journal, May 2019

  • Sharma, Rahul; Sahoo, Krishna Rani; Rastogi, Pankaj Kumar
  • physica status solidi (RRL) – Rapid Research Letters, Vol. 13, Issue 12
  • DOI: 10.1002/pssr.201900257

Field effect properties of single-layer MoS2(1−x)Se2x nanosheets produced by a one-step CVD process
journal, July 2018


Synthesis of Large‐Size 1T′ ReS 2 x Se 2(1− x ) Alloy Monolayer with Tunable Bandgap and Carrier Type
journal, October 2017

  • Cui, Fangfang; Feng, Qingliang; Hong, Jinhua
  • Advanced Materials, Vol. 29, Issue 46
  • DOI: 10.1002/adma.201705015

Thermally Induced 2D Alloy-Heterostructure Transformation in Quaternary Alloys
journal, September 2018

  • Susarla, Sandhya; Hachtel, Jordan A.; Yang, Xiting
  • Advanced Materials, Vol. 30, Issue 45
  • DOI: 10.1002/adma.201804218

Identification of optical orbital angular momentum modes with the Kerr nonlinearity of few-layer WS 2
journal, January 2020


A machine perspective of atomic defects in scanning transmission electron microscopy
journal, August 2019

  • Dan, Jiadong; Zhao, Xiaoxu; Pennycook, Stephen J.
  • InfoMat, Vol. 1, Issue 3
  • DOI: 10.1002/inf2.12026

Recent Developments in Controlled Vapor‐Phase Growth of 2D Group 6 Transition Metal Dichalcogenides
journal, December 2018

  • Kim, Se‐Yang; Kwak, Jinsung; Ciobanu, Cristian V.
  • Advanced Materials, Vol. 31, Issue 20
  • DOI: 10.1002/adma.201804939

Strategies on Phase Control in Transition Metal Dichalcogenides
journal, August 2018

  • Wang, Renyan; Yu, Yiwei; Zhou, Shasha
  • Advanced Functional Materials, Vol. 28, Issue 47
  • DOI: 10.1002/adfm.201802473

Composition-induced type I and direct bandgap transition metal dichalcogenides alloy vertical heterojunctions
journal, January 2020

  • Zhou, Songsong; Ning, Jinliang; Sun, Jianwei
  • Nanoscale, Vol. 12, Issue 1
  • DOI: 10.1039/c9nr08345f

Synthesis of In-Plane Artificial Lattices of Monolayer Multijunctions
journal, December 2017

  • Chiu, Kuan-Chang; Huang, Kuan-Hua; Chen, Chun-An
  • Advanced Materials, Vol. 30, Issue 7
  • DOI: 10.1002/adma.201704796

A review on chemiresistive room temperature gas sensors based on metal oxide nanostructures, graphene and 2D transition metal dichalcogenides
journal, March 2018


Entropy‐Maximized Synthesis of Multimetallic Nanoparticle Catalysts via a Ultrasonication‐Assisted Wet Chemistry Method under Ambient Conditions
journal, February 2019

  • Liu, Miaomiao; Zhang, Zihao; Okejiri, Francis
  • Advanced Materials Interfaces, Vol. 6, Issue 7
  • DOI: 10.1002/admi.201900015

Progress in Contact, Doping and Mobility Engineering of MoS2: An Atomically Thin 2D Semiconductor
journal, August 2018


Direct/indirect band gap tunability in van der Waals heterojunctions based on ternary 2D materials Mo 1− x W x Y 2
journal, September 2019

  • Zhang, Mengjuan; Pan, Jiangling; Zhou, Wenzhe
  • Journal of Physics: Condensed Matter, Vol. 31, Issue 50
  • DOI: 10.1088/1361-648x/ab3f77

First principles methods using CASTEP
journal, January 2005

  • Clark, Stewart J.; Segall, Matthew D.; Pickard, Chris J.
  • Zeitschrift für Kristallographie - Crystalline Materials, Vol. 220, Issue 5/6
  • DOI: 10.1524/zkri.220.5.567.65075

Coordination assembly of 2D ordered organic metal chalcogenides with widely tunable electronic band gaps
journal, January 2020