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

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 

作者机构：Mechanical Engineering DepartmentLouisiana Tech UniversityRustonLA 71272USA Department of Mechanical EngineeringUniversity of AlabamaTuscaloosaALUSA Institute for MicromanufacturingLouisiana Tech UniversityRustonLAUSA Materials Research InstituteThe Pennsylvania State UniversityUniversity ParkPA 16802USA Department of Materials Science and EngineeringThe Pennsylvania State UniversityUniversity ParkPA 16802USA 2-Dimensional Crystal ConsortiumThe Pennsylvania State UniversityUniversity ParkPA 16802USA Department of PhysicsThe Pennsylvania State UniversityUniversity ParkPA 16802USA Department of Electrical EngineeringIowa State UniversityAmesIA 50010USA Mechanical Engineering DepartmentThe Pennsylvania State UniversityUniversity ParkPA 16802USA Shanghai Institute of Applied Mathematics and MechanicsShanghai Key Laboratory of Mechanics in Energy EngineeringShanghai UniversityShanghai 200072China Department of Mechanical EngineeringBoston UniversityBostonMA 02215USA Department of Engineering Science and MechanicsThe Pennsylvania State UniversityUniversity ParkPA 16802USA Department of MathematicsThe Pennsylvania State UniversityUniversity ParkPA 16802USA 

出 版 物：《npj Computational Materials》 (计算材料学（英文）)

年 卷 期：2020年第6卷第1期

页      面：1484-1501页

核心收录：

学科分类：081704[工学-应用化学] 07[理学] 08[工学] 0817[工学-化学工程与技术] 070303[理学-有机化学] 0703[理学-化学] 

基　　金：K.M.and L.Q.C.are partially supported by the Hamer Professorship at Penn State,Louisiana Tech University,the National Science Foundation 2D Crystal Consortium-Material Innovation Platform(2DCC-MIP)under NSF cooperative agreement DMR-1539916 the NSF-CAREER under NSF cooperative agreement CBET-1943857 Y.Z.J.is supported by the I/UCRC Center for Atomically Thin Multifunctional Coatings(ATOMIC)seed project SP001-17 and the 2DCC-MIP.This project is also partly supported by DoE-ARPA-E OPEN,NASA-EPSCoR,Louisiana EPSCoR-OIA-1541079(NSF(2018)-CIMMSeed-18 and NSF(2018)-CIMMSeed-19),and LEQSF(2015-18)-LaSPACE.J.W.J.is supported by the Recruitment Program of Global Youth Experts of China,the National Natural Science Foundation of China(NSFC)under Grant Number 11822206 the Innovation Program of Shanghai Municipal Education Commission under Grant Number 2017-01-07-00-09-E00019 

主　　题：synthesis utilized subsequent 

摘      要：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.