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Title: Towards controlled synthesis of 2D crystals by chemical vapor deposition (CVD)

Abstract

We report the emergence of two-dimensional (2D) materials has captured the imagination of researchers since graphene was first exfoliated from graphite in 2004. Their exotic properties give rise to many exciting potential applications in advanced electronic, optoelectronic, energy and biomedical technologies. Scalable growth of high quality 2D materials is crucial for their adoption in technological applications the same way the arrival of high quality silicon single crystals was to the semiconductor industry. A huge amount of effort has been devoted to grow large-area, highly crystalline 2D crystals such as graphene and transition metal dichalcogenides (TMDs) through various methods. While CVD growth of wafer-scale monolayer graphene and TMDs has been demonstrated, considerable challenges still remain. In this perspective, we advocate for the focus on the crystal growth morphology as an underpinning for understanding, diagnosing and controlling the CVD process and environment for 2D material growth. Like snowflakes in nature, 2D crystals exhibit a rich variety of morphologies under different growth conditions. The mapping of crystal shapes in the growth parameter space “encodes” a wealth of information, the deciphering of which will lead to better understanding of the fundamental growth mechanism and materials properties. To this end, we envision a collective effortmore » by the 2D materials community to establish the correlation between crystal shapes and the intrinsic thermodynamic and kinetic parameters for CVD reactions through integrated crystal growth experiment, database development and machine learning assisted predictive modeling, which will pave a robust path towards controlled synthesis of 2D materials and heterostructures.« less

Authors:
 [1];  [1];  [2];  [1];  [1]
  1. Rice Univ., Houston, TX (United States)
  2. Univ. of Pennsylvania, Philadelphia, PA (United States)
Publication Date:
Research Org.:
Rice Univ., Houston, TX (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES); Welch Foundation
OSTI Identifier:
1852818
Alternate Identifier(s):
OSTI ID: 1780431
Grant/Contract Number:  
SC0019111; C-1716
Resource Type:
Accepted Manuscript
Journal Name:
Materials Today
Additional Journal Information:
Journal Volume: 40; Journal Issue: C; Journal ID: ISSN 1369-7021
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Zhang, Jing, Wang, Fan, Shenoy, Vivek B., Tang, Ming, and Lou, Jun. Towards controlled synthesis of 2D crystals by chemical vapor deposition (CVD). United States: N. p., 2020. Web. doi:10.1016/j.mattod.2020.06.012.
Zhang, Jing, Wang, Fan, Shenoy, Vivek B., Tang, Ming, & Lou, Jun. Towards controlled synthesis of 2D crystals by chemical vapor deposition (CVD). United States. https://doi.org/10.1016/j.mattod.2020.06.012
Zhang, Jing, Wang, Fan, Shenoy, Vivek B., Tang, Ming, and Lou, Jun. Tue . "Towards controlled synthesis of 2D crystals by chemical vapor deposition (CVD)". United States. https://doi.org/10.1016/j.mattod.2020.06.012. https://www.osti.gov/servlets/purl/1852818.
@article{osti_1852818,
title = {Towards controlled synthesis of 2D crystals by chemical vapor deposition (CVD)},
author = {Zhang, Jing and Wang, Fan and Shenoy, Vivek B. and Tang, Ming and Lou, Jun},
abstractNote = {We report the emergence of two-dimensional (2D) materials has captured the imagination of researchers since graphene was first exfoliated from graphite in 2004. Their exotic properties give rise to many exciting potential applications in advanced electronic, optoelectronic, energy and biomedical technologies. Scalable growth of high quality 2D materials is crucial for their adoption in technological applications the same way the arrival of high quality silicon single crystals was to the semiconductor industry. A huge amount of effort has been devoted to grow large-area, highly crystalline 2D crystals such as graphene and transition metal dichalcogenides (TMDs) through various methods. While CVD growth of wafer-scale monolayer graphene and TMDs has been demonstrated, considerable challenges still remain. In this perspective, we advocate for the focus on the crystal growth morphology as an underpinning for understanding, diagnosing and controlling the CVD process and environment for 2D material growth. Like snowflakes in nature, 2D crystals exhibit a rich variety of morphologies under different growth conditions. The mapping of crystal shapes in the growth parameter space “encodes” a wealth of information, the deciphering of which will lead to better understanding of the fundamental growth mechanism and materials properties. To this end, we envision a collective effort by the 2D materials community to establish the correlation between crystal shapes and the intrinsic thermodynamic and kinetic parameters for CVD reactions through integrated crystal growth experiment, database development and machine learning assisted predictive modeling, which will pave a robust path towards controlled synthesis of 2D materials and heterostructures.},
doi = {10.1016/j.mattod.2020.06.012},
journal = {Materials Today},
number = C,
volume = 40,
place = {United States},
year = {Tue Jul 21 00:00:00 EDT 2020},
month = {Tue Jul 21 00:00:00 EDT 2020}
}

Works referenced in this record:

Unveiling the Growth Mechanism of MoS 2 with Chemical Vapor Deposition: From Two-Dimensional Planar Nucleation to Self-Seeding Nucleation
journal, January 2018


Equilibrium Shape of Copper Crystals Grown on Sapphire
journal, January 2004


Monolayer MoS 2 Dendrites on a Symmetry-Disparate SrTiO 3 (001) Substrate: Formation Mechanism and Interface Interaction
journal, March 2016

  • Zhang, Yu; Ji, Qingqing; Wen, Jinxiu
  • Advanced Functional Materials, Vol. 26, Issue 19
  • DOI: 10.1002/adfm.201505571

Role of Chemical Potential in Flake Shape and Edge Properties of Monolayer MoS 2
journal, February 2015

  • Cao, Dan; Shen, Tao; Liang, Pei
  • The Journal of Physical Chemistry C, Vol. 119, Issue 8
  • DOI: 10.1021/jp5097713

Metal Induced Growth of Transition Metal Dichalcogenides at Controlled Locations
journal, December 2016

  • Wang, Zhendong; Huang, Qi; Chen, Peng
  • Scientific Reports, Vol. 6, Issue 1
  • DOI: 10.1038/srep38394

Generalized Mechanistic Model for the Chemical Vapor Deposition of 2D Transition Metal Dichalcogenide Monolayers
journal, March 2016

  • Govind Rajan, Ananth; Warner, Jamie H.; Blankschtein, Daniel
  • ACS Nano, Vol. 10, Issue 4
  • DOI: 10.1021/acsnano.5b07916

The Role of Surface Oxygen in the Growth of Large Single-Crystal Graphene on Copper
journal, October 2013


Accelerated Discovery of Large Electrostrains in BaTiO 3 -Based Piezoelectrics Using Active Learning
journal, January 2018

  • Yuan, Ruihao; Liu, Zhen; Balachandran, Prasanna V.
  • Advanced Materials, Vol. 30, Issue 7
  • DOI: 10.1002/adma.201702884

Wafer-Scale Growth of Single-Crystal Monolayer Graphene on Reusable Hydrogen-Terminated Germanium
journal, April 2014


Growth Mechanism of Transition Metal Dichalcogenide Monolayers: The Role of Self-Seeding Fullerene Nuclei
journal, May 2016


Synthesis and Transfer of Single-Layer Transition Metal Disulfides on Diverse Surfaces
journal, March 2013

  • Lee, Yi-Hsien; Yu, Lili; Wang, Han
  • Nano Letters, Vol. 13, Issue 4
  • DOI: 10.1021/nl400687n

Synthesis of MoS 2 ribbons and their branched structures by chemical vapor deposition in sulfur-enriched environment
journal, July 2017


Materials Informatics: The Materials “Gene” and Big Data
journal, July 2015


Active learning in materials science with emphasis on adaptive sampling using uncertainties for targeted design
journal, February 2019

  • Lookman, Turab; Balachandran, Prasanna V.; Xue, Dezhen
  • npj Computational Materials, Vol. 5, Issue 1
  • DOI: 10.1038/s41524-019-0153-8

Classifying optical microscope images of exfoliated graphene flakes by data-driven machine learning
journal, January 2019


Synthesis of Large-Area Highly Crystalline Monolayer Molybdenum Disulfide with Tunable Grain Size in a H 2 Atmosphere
journal, September 2015

  • Feng, Yulin; Zhang, Kailiang; Wang, Fang
  • ACS Applied Materials & Interfaces, Vol. 7, Issue 40
  • DOI: 10.1021/acsami.5b07038

Shape-Dependent Defect Structures of Monolayer MoS 2 Crystals Grown by Chemical Vapor Deposition
journal, December 2016

  • Zhang, Guozhu; Wang, Jingwei; Wu, Zefei
  • ACS Applied Materials & Interfaces, Vol. 9, Issue 1
  • DOI: 10.1021/acsami.6b13777

Excitation intensity dependent photoluminescence of annealed two-dimensional MoS 2 grown by chemical vapor deposition
journal, June 2016

  • Kaplan, D.; Mills, K.; Lee, J.
  • Journal of Applied Physics, Vol. 119, Issue 21
  • DOI: 10.1063/1.4948662

The Vapor Pressures of Sulphur between 100° and 550° with related Thermal Data
journal, December 1929

  • West, W. A.; Menzies, A. W. C.
  • The Journal of Physical Chemistry, Vol. 33, Issue 12
  • DOI: 10.1021/j150306a002

Substrate engineering of graphene reactivity: towards high-performance graphene-based catalysts
journal, January 2018


Ultrafast growth of large-area monolayer MoS 2 film via gold foil assistant CVD for a highly sensitive photodetector
journal, June 2017


Machine learning in materials informatics: recent applications and prospects
journal, December 2017

  • Ramprasad, Rampi; Batra, Rohit; Pilania, Ghanshyam
  • npj Computational Materials, Vol. 3, Issue 1
  • DOI: 10.1038/s41524-017-0056-5

Synthesis of Large-Area MoS2 Atomic Layers with Chemical Vapor Deposition
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

Epitaxial Graphene Growth and Shape Dynamics on Copper: Phase-Field Modeling and Experiments
journal, October 2013

  • Meca, Esteban; Lowengrub, John; Kim, Hokwon
  • Nano Letters, Vol. 13, Issue 11
  • DOI: 10.1021/nl4033928

Materials discovery and design using machine learning
journal, September 2017


Snow and ice crystals
journal, December 2007

  • Furukawa, Yoshinori; Wettlaufer, John S.
  • Physics Today, Vol. 60, Issue 12
  • DOI: 10.1063/1.2825081

Controlled synthesis of highly crystalline CVD-derived monolayer MoSe 2 and shape evolution mechanism
journal, April 2018


Synthesis of MoS2 and MoSe2 Films with Vertically Aligned Layers
journal, February 2013

  • Kong, Desheng; Wang, Haotian; Cha, Judy J.
  • Nano Letters, Vol. 13, Issue 3, p. 1341-1347
  • DOI: 10.1021/nl400258t

Control of the Nucleation Density of Molybdenum Disulfide in Large-Scale Synthesis Using Chemical Vapor Deposition
journal, May 2018

  • Xu, Haitao; Zhou, Weipeng; Zheng, Xiaowu
  • Materials, Vol. 11, Issue 6
  • DOI: 10.3390/ma11060870

Optimisation of GaN LEDs and the reduction of efficiency droop using active machine learning
journal, April 2016

  • Rouet-Leduc, Bertrand; Barros, Kipton; Lookman, Turab
  • Scientific Reports, Vol. 6, Issue 1
  • DOI: 10.1038/srep24862

A computer vision approach for automated analysis and classification of microstructural image data
journal, December 2015


Grains and grain boundaries in highly crystalline monolayer molybdenum disulphide
journal, May 2013

  • van der Zande, Arend M.; Huang, Pinshane Y.; Chenet, Daniel A.
  • Nature Materials, Vol. 12, Issue 6, p. 554-561
  • DOI: 10.1038/nmat3633

Ab Initio -Based Bond Order Potential to Investigate Low Thermal Conductivity of Stanene Nanostructures
journal, September 2016

  • Cherukara, Mathew J.; Narayanan, Badri; Kinaci, Alper
  • The Journal of Physical Chemistry Letters, Vol. 7, Issue 19
  • DOI: 10.1021/acs.jpclett.6b01562

Controlled growth of six-point stars MoS 2 by chemical vapor deposition and its shape evolution mechanism
journal, September 2017


Vapour phase growth and grain boundary structure of molybdenum disulphide atomic layers
journal, June 2013

  • Najmaei, Sina; Liu, Zheng; Zhou, Wu
  • Nature Materials, Vol. 12, Issue 8, p. 754-759
  • DOI: 10.1038/nmat3673

Modification of Vapor Phase Concentrations in MoS 2 Growth Using a NiO Foam Barrier
journal, January 2018


Oxygen-Assisted Chemical Vapor Deposition Growth of Large Single-Crystal and High-Quality Monolayer MoS 2
journal, December 2015

  • Chen, Wei; Zhao, Jing; Zhang, Jing
  • Journal of the American Chemical Society, Vol. 137, Issue 50
  • DOI: 10.1021/jacs.5b10519

Bayesian inference of substrate properties from film behavior
journal, December 2014

  • Aggarwal, R.; Demkowicz, M. J.; Marzouk, Y. M.
  • Modelling and Simulation in Materials Science and Engineering, Vol. 23, Issue 1
  • DOI: 10.1088/0965-0393/23/1/015009

Well-Hidden Grain Boundary in the Monolayer MoS 2 Formed by a Two-Dimensional Core–Shell Growth Mode
journal, September 2017


Crystal nucleation in metallic alloys using x-ray radiography and machine learning
journal, April 2018

  • Liotti, Enzo; Arteta, Carlos; Zisserman, Andrew
  • Science Advances, Vol. 4, Issue 4
  • DOI: 10.1126/sciadv.aar4004

A high-quality round-shaped monolayer MoS 2 domain and its transformation
journal, January 2016

  • Xie, Shuang; Xu, Mingsheng; Liang, Tao
  • Nanoscale, Vol. 8, Issue 1
  • DOI: 10.1039/C5NR05701A

Data‐driven hypotheses
journal, December 2012


First principles kinetic Monte Carlo study on the growth patterns of WSe 2 monolayer
journal, May 2016


A predictive approach to CVD of crystalline layers of TMDs: the case of MoS 2
journal, January 2015

  • Kranthi Kumar, V.; Dhar, Sukanya; Choudhury, Tanushree H.
  • Nanoscale, Vol. 7, Issue 17
  • DOI: 10.1039/C4NR07080A

Highly Scalable, Atomically Thin WSe 2 Grown via Metal–Organic Chemical Vapor Deposition
journal, January 2015

  • Eichfeld, Sarah M.; Hossain, Lorraine; Lin, Yu-Chuan
  • ACS Nano, Vol. 9, Issue 2
  • DOI: 10.1021/nn5073286

Chemical Vapor Deposition of High-Quality Large-Sized MoS 2 Crystals on Silicon Dioxide Substrates
journal, March 2016


Temperature-dependent morphology of chemical vapor grown molybdenum disulfide
journal, March 2017

  • Yang, Xiaoyin; Wang, Yantao; Zhou, Jiadong
  • Journal of Physics D: Applied Physics, Vol. 50, Issue 16
  • DOI: 10.1088/1361-6463/aa6220

Bayesian calibration of computer models
journal, August 2001

  • Kennedy, Marc C.; O'Hagan, Anthony
  • Journal of the Royal Statistical Society: Series B (Statistical Methodology), Vol. 63, Issue 3
  • DOI: 10.1111/1467-9868.00294

Epitaxial growth of vertically stacked p-MoS2/n-MoS2 heterostructures by chemical vapor deposition for light emitting devices
journal, February 2017


Substrate-induced strain and charge doping in CVD-grown monolayer MoS 2
journal, October 2017

  • Chae, Woo Hyun; Cain, Jeffrey D.; Hanson, Eve D.
  • Applied Physics Letters, Vol. 111, Issue 14
  • DOI: 10.1063/1.4998284

Influences of carrier gas flow rate on the morphologies of MoS2 flakes
journal, July 2015


Effective shape-controlled growth of monolayer MoS2 flakes by powder-based chemical vapor deposition
journal, November 2016


Epitaxial Monolayer MoS 2 on Mica with Novel Photoluminescence
journal, July 2013

  • Ji, Qingqing; Zhang, Yanfeng; Gao, Teng
  • Nano Letters, Vol. 13, Issue 8
  • DOI: 10.1021/nl401938t

Shape Evolution of Monolayer MoS 2 Crystals Grown by Chemical Vapor Deposition
journal, November 2014

  • Wang, Shanshan; Rong, Youmin; Fan, Ye
  • Chemistry of Materials, Vol. 26, Issue 22
  • DOI: 10.1021/cm5025662

Prediction of Synthesis of 2D Metal Carbides and Nitrides (MXenes) and Their Precursors with Positive and Unlabeled Machine Learning
journal, March 2019


Materials informatics: From the atomic-level to the continuum
journal, April 2019


Chemical Vapor Deposition Growth and Applications of Two-Dimensional Materials and Their Heterostructures
journal, January 2018


Twin Defect Derived Growth of Atomically Thin MoS 2 Dendrites
journal, December 2017


Gap plasmon-enhanced photoluminescence of monolayer MoS 2 in hybrid nanostructure
journal, April 2018


Spectroscopic Visualization of Grain Boundaries of Monolayer Molybdenum Disulfide by Stacking Bilayers
journal, October 2015


Transport Properties of Monolayer MoS 2 Grown by Chemical Vapor Deposition
journal, March 2014

  • Schmidt, Hennrik; Wang, Shunfeng; Chu, Leiqiang
  • Nano Letters, Vol. 14, Issue 4
  • DOI: 10.1021/nl4046922

Controlled Growth of High-Quality Monolayer WS 2 Layers on Sapphire and Imaging Its Grain Boundary
journal, September 2013

  • Zhang, Yu; Zhang, Yanfeng; Ji, Qingqing
  • ACS Nano, Vol. 7, Issue 10
  • DOI: 10.1021/nn403454e

Self-organized graphene crystal patterns
journal, February 2013

  • Wu, Bin; Geng, Dechao; Xu, Zhiping
  • NPG Asia Materials, Vol. 5, Issue 2
  • DOI: 10.1038/am.2012.68

Role of the Seeding Promoter in MoS 2 Growth by Chemical Vapor Deposition
journal, January 2014

  • Ling, Xi; Lee, Yi-Hsien; Lin, Yuxuan
  • Nano Letters, Vol. 14, Issue 2
  • DOI: 10.1021/nl4033704

The Vaporization of Molybdenum and Tungsten Oxides
journal, July 1958

  • Blackburn, Paul E.; Hoch, Michael; Johnston, Herrick L.
  • The Journal of Physical Chemistry, Vol. 62, Issue 7
  • DOI: 10.1021/j150565a001

Effect of different precursors on CVD growth of molybdenum disulfide
journal, April 2019


Bridging the Gap between Reality and Ideal in Chemical Vapor Deposition Growth of Graphene
journal, August 2018


Microstructure informatics using higher-order statistics and efficient data-mining protocols
journal, April 2011


Quantitative Description of Crystal Nucleation and Growth from in Situ Liquid Scanning Transmission Electron Microscopy
journal, October 2015


Mass Spectrometric Investigation of the Sublimation of Molybdenum Dioxide
journal, May 1960

  • Burns, R. P.; DeMaria, G.; Drowart, J.
  • The Journal of Chemical Physics, Vol. 32, Issue 5
  • DOI: 10.1063/1.1730922

Bayesian Experimental Design: A Review
journal, August 1995

  • Chaloner, Kathryn; Verdinelli, Isabella
  • Statistical Science, Vol. 10, Issue 3
  • DOI: 10.1214/ss/1177009939

Capture the growth kinetics of CVD growth of two-dimensional MoS2
journal, May 2017


Intelligent identification of two-dimensional nanostructures by machine-learning optical microscopy
journal, August 2018


Large Dendritic Monolayer MoS 2 Grown by Atmospheric Pressure Chemical Vapor Deposition for Electrocatalysis
journal, January 2018

  • Xu, Wenshuo; Li, Sha; Zhou, Si
  • ACS Applied Materials & Interfaces, Vol. 10, Issue 5
  • DOI: 10.1021/acsami.7b14861

Chemical Vapor Deposition Growth of Monolayer WSe 2 with Tunable Device Characteristics and Growth Mechanism Study
journal, May 2015


Two-Dimensional Hexagonal Sheet of TiO 2
journal, August 2017

  • Eivari, Hossein Asnaashari; Ghasemi, S. Alireza; Tahmasbi, Hossein
  • Chemistry of Materials, Vol. 29, Issue 20
  • DOI: 10.1021/acs.chemmater.7b02031

Top-gated chemical vapor deposited MoS 2 field-effect transistors on Si 3 N 4 substrates
journal, February 2015

  • Sanne, A.; Ghosh, R.; Rai, A.
  • Applied Physics Letters, Vol. 106, Issue 6
  • DOI: 10.1063/1.4907885

Some Theorems on the Free Energies of Crystal Surfaces
journal, April 1951