skip to main content
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

This content will become publicly available on May 25, 2021

Title: Quasi‐Binary Transition Metal Dichalcogenide Alloys: Thermodynamic Stability Prediction, Scalable Synthesis, and Application

Authors:
ORCiD logo [1];  [2]; ORCiD logo [1];  [3];  [1];  [1];  [1];  [4];  [3];  [3];  [3];  [3];  [3];  [5];  [5];  [6];  [4];  [3];  [7];  [1]
  1. Department of Mechanical and Industrial EngineeringUniversity of Illinois Chicago IL 60607 USA
  2. Department of PhysicsWashington University St. Louis MO 63130 USA
  3. Department of PhysicsUniversity of Illinois Chicago IL 60607 USA
  4. Department of ChemistryUniversity of Illinois at Chicago Chicago IL 60607 USA
  5. Materials Science DivisionArgonne National Laboratory Argonne IL 60439 USA
  6. Department of Mechanical Engineering and Material ScienceWashington University St. Louis MO 63130 USA
  7. Department of Mechanical Engineering and Material ScienceWashington University St. Louis MO 63130 USA, Institute of Materials Science and EngineeringWashington University St. Louis MO 63130 USA
Publication Date:
Sponsoring Org.:
USDOE Office of Energy Efficiency and Renewable Energy (EERE)
OSTI Identifier:
1630670
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Advanced Materials
Additional Journal Information:
Journal Name: Advanced Materials Journal Volume: 32 Journal Issue: 26; Journal ID: ISSN 0935-9648
Publisher:
Wiley Blackwell (John Wiley & Sons)
Country of Publication:
Germany
Language:
English

Citation Formats

Hemmat, Zahra, Cavin, John, Ahmadiparidari, Alireza, Ruckel, Alexander, Rastegar, Sina, Misal, Saurabh N., Majidi, Leily, Kumar, Khagesh, Wang, Shuxi, Guo, Jinglong, Dawood, Radwa, Lagunas, Francisco, Parajuli, Prakash, Ngo, Anh Tuan, Curtiss, Larry A., Cho, Sung Beom, Cabana, Jordi, Klie, Robert F., Mishra, Rohan, and Salehi‐Khojin, Amin. Quasi‐Binary Transition Metal Dichalcogenide Alloys: Thermodynamic Stability Prediction, Scalable Synthesis, and Application. Germany: N. p., 2020. Web. doi:10.1002/adma.201907041.
Hemmat, Zahra, Cavin, John, Ahmadiparidari, Alireza, Ruckel, Alexander, Rastegar, Sina, Misal, Saurabh N., Majidi, Leily, Kumar, Khagesh, Wang, Shuxi, Guo, Jinglong, Dawood, Radwa, Lagunas, Francisco, Parajuli, Prakash, Ngo, Anh Tuan, Curtiss, Larry A., Cho, Sung Beom, Cabana, Jordi, Klie, Robert F., Mishra, Rohan, & Salehi‐Khojin, Amin. Quasi‐Binary Transition Metal Dichalcogenide Alloys: Thermodynamic Stability Prediction, Scalable Synthesis, and Application. Germany. doi:https://doi.org/10.1002/adma.201907041
Hemmat, Zahra, Cavin, John, Ahmadiparidari, Alireza, Ruckel, Alexander, Rastegar, Sina, Misal, Saurabh N., Majidi, Leily, Kumar, Khagesh, Wang, Shuxi, Guo, Jinglong, Dawood, Radwa, Lagunas, Francisco, Parajuli, Prakash, Ngo, Anh Tuan, Curtiss, Larry A., Cho, Sung Beom, Cabana, Jordi, Klie, Robert F., Mishra, Rohan, and Salehi‐Khojin, Amin. Mon . "Quasi‐Binary Transition Metal Dichalcogenide Alloys: Thermodynamic Stability Prediction, Scalable Synthesis, and Application". Germany. doi:https://doi.org/10.1002/adma.201907041.
@article{osti_1630670,
title = {Quasi‐Binary Transition Metal Dichalcogenide Alloys: Thermodynamic Stability Prediction, Scalable Synthesis, and Application},
author = {Hemmat, Zahra and Cavin, John and Ahmadiparidari, Alireza and Ruckel, Alexander and Rastegar, Sina and Misal, Saurabh N. and Majidi, Leily and Kumar, Khagesh and Wang, Shuxi and Guo, Jinglong and Dawood, Radwa and Lagunas, Francisco and Parajuli, Prakash and Ngo, Anh Tuan and Curtiss, Larry A. and Cho, Sung Beom and Cabana, Jordi and Klie, Robert F. and Mishra, Rohan and Salehi‐Khojin, Amin},
abstractNote = {},
doi = {10.1002/adma.201907041},
journal = {Advanced Materials},
number = 26,
volume = 32,
place = {Germany},
year = {2020},
month = {5}
}

Journal Article:
Free Publicly Available Full Text
This content will become publicly available on May 25, 2021
Publisher's Version of Record

Save / Share:

Works referenced in this record:

Generalized Gradient Approximation Made Simple
journal, October 1996

  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

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


Janus monolayers of transition metal dichalcogenides
journal, May 2017


Janus Monolayer Transition-Metal Dichalcogenides
journal, August 2017


Highly crystalline 2D superconductors
journal, December 2016


Reduction of Electromigration in Aluminum Films by Copper Doping
journal, July 1970

  • Ames, I.; d'Heurle, F. M.; Horstmann, R. E.
  • IBM Journal of Research and Development, Vol. 14, Issue 4
  • DOI: 10.1147/rd.144.0461

Prediction of two-dimensional diluted magnetic semiconductors: Doped monolayer MoS 2 systems
journal, March 2013


Rich structural phase diagram and thermoelectric properties of layered tellurides Mo 1− x Nb x Te 2
journal, April 2015

  • Ikeura, Koji; Sakai, Hideaki; Bahramy, Mohammad Saeed
  • APL Materials, Vol. 3, Issue 4
  • DOI: 10.1063/1.4913967

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

Tailoring the Edge Structure of Molybdenum Disulfide toward Electrocatalytic Reduction of Carbon Dioxide
journal, December 2016


A lithium–oxygen battery with a long cycle life in an air-like atmosphere
journal, March 2018

  • Asadi, Mohammad; Sayahpour, Baharak; Abbasi, Pedram
  • Nature, Vol. 555, Issue 7697
  • DOI: 10.1038/nature25984

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

Enhanced Thermal Boundary Conductance in Few-Layer Ti 3 C 2 MXene with Encapsulation
journal, September 2018

  • Yasaei, Poya; Hemmat, Zahra; Foss, Cameron J.
  • Advanced Materials, Vol. 30, Issue 43
  • DOI: 10.1002/adma.201801629

Gate-induced superconductivity in a monolayer topological insulator
journal, October 2018


Vegard’s law
journal, March 1991


Highly Efficient Solar-Driven Carbon Dioxide Reduction on Molybdenum Disulfide Catalyst Using Choline Chloride-Based Electrolyte
journal, January 2019

  • Asadi, Mohammad; Motevaselian, Mohammad Hossein; Moradzadeh, Alireza
  • Advanced Energy Materials, Vol. 9, Issue 9
  • DOI: 10.1002/aenm.201803536

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

High Current Density and Low Thermal Conductivity of Atomically Thin Semimetallic WTe 2
journal, July 2016


Superior Current Carrying Capacity of Boron Nitride Encapsulated Carbon Nanotubes with Zero-Dimensional Contacts
journal, September 2015


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

New Class of Electrocatalysts Based on 2D Transition Metal Dichalcogenides in Ionic Liquid
journal, November 2018

  • Majidi, Leily; Yasaei, Poya; Warburton, Robert E.
  • Advanced Materials, Vol. 31, Issue 4
  • DOI: 10.1002/adma.201804453

Tunable Band Gap Photoluminescence from Atomically Thin Transition-Metal Dichalcogenide Alloys
journal, April 2013

  • Chen, Yanfeng; Xi, Jinyang; Dumcenco, Dumitru O.
  • ACS Nano, Vol. 7, Issue 5, p. 4610-4616
  • DOI: 10.1021/nn401420h

Current Rerouting Improves Heat Removal in Few-Layer WSe 2 Devices
journal, March 2020

  • Majee, Arnab K.; Hemmat, Zahra; Foss, Cameron J.
  • ACS Applied Materials & Interfaces, Vol. 12, Issue 12
  • DOI: 10.1021/acsami.9b22039

MoS 2 Enhanced T-Phase Stabilization and Tunability Through Alloying
journal, June 2016

  • Raffone, Federico; Ataca, Can; Grossman, Jeffrey C.
  • The Journal of Physical Chemistry Letters, Vol. 7, Issue 13
  • DOI: 10.1021/acs.jpclett.6b00794

Tuning Thermal Transport Through Atomically Thin Ti 3 C 2 T z MXene by Current Annealing in Vacuum
journal, March 2019

  • Hemmat, Zahra; Yasaei, Poya; Schultz, Jeremy F.
  • Advanced Functional Materials, Vol. 29, Issue 19
  • DOI: 10.1002/adfm.201805693

A Long‐Cycle‐Life Lithium–CO 2 Battery with Carbon Neutrality
journal, August 2019

  • Ahmadiparidari, Alireza; Warburton, Robert E.; Majidi, Leily
  • Advanced Materials, Vol. 31, Issue 40
  • DOI: 10.1002/adma.201902518

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

Enhanced superconductivity in atomically thin TaS2
journal, March 2016

  • Navarro-Moratalla, Efrén; Island, Joshua O.; Mañas-Valero, Samuel
  • Nature Communications, Vol. 7, Issue 1
  • DOI: 10.1038/ncomms11043

Long-range ferromagnetic ordering in manganese-doped two-dimensional dichalcogenides
journal, October 2013


Spin-orbit engineering in transition metal dichalcogenide alloy monolayers
journal, December 2015

  • Wang, Gang; Robert, Cedric; Suslu, Aslihan
  • Nature Communications, Vol. 6, Issue 1
  • DOI: 10.1038/ncomms10110

Structural semiconductor-to-semimetal phase transition in two-dimensional materials induced by electrostatic gating
journal, February 2016

  • Li, Yao; Duerloo, Karel-Alexander N.; Wauson, Kerry
  • Nature Communications, Vol. 7, Issue 1
  • DOI: 10.1038/ncomms10671

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996


Valley Zeeman Splitting and Valley Polarization of Neutral and Charged Excitons in Monolayer MoTe 2 at High Magnetic Fields
journal, May 2016


Special points for Brillouin-zone integrations
journal, June 1976

  • Monkhorst, Hendrik J.; Pack, James D.
  • Physical Review B, Vol. 13, Issue 12, p. 5188-5192
  • DOI: 10.1103/PhysRevB.13.5188

Ising pairing in superconducting NbSe2 atomic layers
journal, November 2015

  • Xi, Xiaoxiang; Wang, Zefang; Zhao, Weiwei
  • Nature Physics, Vol. 12, Issue 2
  • DOI: 10.1038/nphys3538

High Current Density Electrical Breakdown of TiS 3 Nanoribbon-Based Field-Effect Transistors
journal, February 2017

  • Molina-Mendoza, Aday J.; Island, Joshua O.; Paz, Wendel S.
  • Advanced Functional Materials, Vol. 27, Issue 13
  • DOI: 10.1002/adfm.201605647

Two-dimensional semiconductor alloys: Monolayer Mo 1−x W x Se 2
journal, January 2014

  • Tongay, Sefaattin; Narang, Deepa S.; Kang, Jun
  • Applied Physics Letters, Vol. 104, Issue 1
  • DOI: 10.1063/1.4834358

Robust carbon dioxide reduction on molybdenum disulphide edges
journal, July 2014

  • Asadi, Mohammad; Kumar, Bijandra; Behranginia, Amirhossein
  • Nature Communications, Vol. 5, Issue 1
  • DOI: 10.1038/ncomms5470

The alloy theoretic automated toolkit: A user guide
journal, December 2002


Electrical breakdown of multilayer MoS 2 field-effect transistors with thickness-dependent mobility
journal, January 2014

  • Yang, Rui; Wang, Zenghui; Feng, Philip X. -L.
  • Nanoscale, Vol. 6, Issue 21
  • DOI: 10.1039/C4NR03472D

Quantum spin Hall effect in two-dimensional transition metal dichalcogenides
journal, November 2014


Growth of Alloy MoS2xSe2(1–x) Nanosheets with Fully Tunable Chemical Compositions and Optical Properties
journal, February 2014

  • Li, Honglai; Duan, Xidong; Wu, Xueping
  • Journal of the American Chemical Society, Vol. 136, Issue 10, p. 3756-3759
  • DOI: 10.1021/ja500069b

Metal-Semiconductor Phase-Transition in WSe 2(1- x ) Te 2 x Monolayer
journal, November 2016


Superlinear Composition-Dependent Photocurrent in CVD-Grown Monolayer MoS 2(1– x ) Se 2 x Alloy Devices
journal, March 2015


Outstanding radiation resistance of tungsten-based high-entropy alloys
journal, March 2019


Special quasirandom structures
journal, July 1990


Mo x W 1− x (S y Se 1− y ) 2 Alloy Nanoflakes for High-Performance Electrocatalytic Hydrogen Evolution
journal, May 2016

  • Gong, Qiufang; Sheng, Sida; Ye, Hualin
  • Particle & Particle Systems Characterization, Vol. 33, Issue 8
  • DOI: 10.1002/ppsc.201500255

A library of atomically thin metal chalcogenides
journal, April 2018


Transport in Nanoribbon Interconnects Obtained from Graphene Grown by Chemical Vapor Deposition
journal, January 2012

  • Behnam, Ashkan; Lyons, Austin S.; Bae, Myung-Ho
  • Nano Letters, Vol. 12, Issue 9
  • DOI: 10.1021/nl300584r

2D superconductivity and vortex dynamics in 1T-MoS2
journal, December 2018

  • Sharma, Chithra H.; Surendran, Ananthu P.; Varma, Sangeeth S.
  • Communications Physics, Vol. 1, Issue 1
  • DOI: 10.1038/s42005-018-0091-7

Giant magnetic splitting inducing near-unity valley polarization in van der Waals heterostructures
journal, November 2017

  • Nagler, Philipp; Ballottin, Mariana V.; Mitioglu, Anatolie A.
  • Nature Communications, Vol. 8, Issue 1
  • DOI: 10.1038/s41467-017-01748-1

Control of valley polarization in monolayer MoS2 by optical helicity
journal, June 2012


Valley polarization in MoS2 monolayers by optical pumping
journal, June 2012

  • Zeng, Hualing; Dai, Junfeng; Yao, Wang
  • Nature Nanotechnology, Vol. 7, Issue 8
  • DOI: 10.1038/nnano.2012.95

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