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A computational framework for guiding the MOCVD-growth of wafer-scale 2D materials

npj Computational Materials 2022年第1期8卷 2300-2307页

作者： Kasra Momeni Yanzhou Ji Nadire Nayir Nuruzzaman Sakib Haoyue Zhu shiddartha paul Tanushree H.Choudhury Sara Neshani Adri C.T.van Duin Joan M.Redwing Long-Qing Chen Department of Mechanical Engineering The University of AlabamaTuscaloosa35487ALUSA Department of Materials Science and Engineering The Pennsylvania State UniversityUniversity Park16802PAUSA Department of Mechanical Engineering Pennsylvania State UniversityUniversity Park16802PAUSA 2-Dimensional Crystal Consortium(2DCC)Materials Innovation Platform Materials Research InstituteThe Pennsylvania State UniversityUniversity ParkPA16802USA Department of Physics Karamanoglu Mehmetbey UniversityKaraman70000Turkey Department of Electrical Engineering The University of AlabamaTuscaloosa35487ALUSA

Reproducible wafer-scale growth of two-dimensional(2D)materials using the Chemical Vapor Deposition(CVD)process with precise control over their properties is challenging due to a lack of understanding of the growth mechanisms spanning over several length scales and sensitivity of the synthesis to subtle changes in growth conditions.A multiscale computational framework coupling Computational Fluid Dynamics(CFD),Phase-Field(PF),and reactive Molecular Dynamics(MD)was developed–called the CPM model–and experimentally *** between theoretical predictions and thorough experimental measurements for a Metal-Organic CVD(MOCVD)-grown WSe_(2)model material revealed the full power of this computational ***-area uniform 2D materials are synthesized via MOCVD,guided by computational *** developed computational framework provides the foundation for guiding the synthesis of wafer-scale 2D materials with precise control over the coverage,morphology,and properties,a critical capability for fabricating electronic,optoelectronic,and quantum computing devices.

关键词： MOCVD precise synthesis

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Author Correction: A computational framework for guiding the MOCVD-growth of wafer-scale 2D materials

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npj Computational Materials 2022年第1期8卷 2392-2392页

作者： Kasra Momeni Yanzhou Ji Nadire Nayir Nuruzzaman Sakib Haoyue Zhu shiddartha paul Tanushree H.Choudhury Sara Neshani Adri C.Tvan Duin Joan M.Redwing Long-Qing Chen Department of Mechanical Engineering The University of Alabama Tuscaloosa 35487 AL USA Department of Materials Science and Engineering The Pennsylvania State University University Park 16802 PA USA 2-Dimensional Crystal Consortium (2DCC) Materials Innovation Platform Materials Research Institute The Pennsylvania State University University Park PA 16802 USA Department of Mechanical Engineering Pennsylvania State University University Park 16802 PA USA Department of Physics Karamanoglu Mehmetbey University Karaman 70000 Turkey Department of Electrical Engineering The University of Alabama Tuscaloosa 35487 AL USA

In this article the author name Nuruzzaman Sakib was incorrectly written as Nurruzaman *** original article has been corrected.

关键词： MOCVD wafer corrected

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Multiscale computational understanding and growth of 2D materials:a review

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npj Computational Materials 2020年第1期6卷 1484-1501页

作者： Kasra Momeni Yanzhou Ji Yuanxi Wang shiddartha paul Sara Neshani Dundar E.Yilmaz Yun Kyung Shin Difan Zhang Jin-Wu Jiang Harold S.Park Susan Sinnott Adri van Duin Vincent Crespi Long-Qing Chen Mechanical Engineering Department Louisiana Tech UniversityRustonLA 71272USA Department of Mechanical Engineering University of AlabamaTuscaloosaALUSA Institute for Micromanufacturing Louisiana Tech UniversityRustonLAUSA Materials Research Institute The Pennsylvania State UniversityUniversity ParkPA 16802USA Department of Materials Science and Engineering The Pennsylvania State UniversityUniversity ParkPA 16802USA 2-Dimensional Crystal Consortium The Pennsylvania State UniversityUniversity ParkPA 16802USA Department of Physics The Pennsylvania State UniversityUniversity ParkPA 16802USA Department of Electrical Engineering Iowa State UniversityAmesIA 50010USA Mechanical Engineering Department The Pennsylvania State UniversityUniversity ParkPA 16802USA Shanghai Institute of Applied Mathematics and Mechanics Shanghai Key Laboratory of Mechanics in Energy EngineeringShanghai UniversityShanghai 200072China Department of Mechanical Engineering Boston UniversityBostonMA 02215USA Department of Engineering Science and Mechanics The Pennsylvania State UniversityUniversity ParkPA 16802USA Department of Mathematics The Pennsylvania State UniversityUniversity ParkPA 16802USA

The successful discovery and isolation of graphene in 2004,and the subsequent synthesis of layered semiconductors and heterostructures beyond graphene have led to the exploding field of two-dimensional(2D)materials that explore their growth,new atomic-scale physics,and potential device *** review aims to provide an overview of theoretical,computational,and machine learning methods and tools at multiple length and time scales,and discuss how they can be utilized to assist/guide the design and synthesis of 2D materials beyond graphene.

关键词： synthesis utilized subsequent

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