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您的检索式：作者名="Shiddartha Paul"
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| 1 | Multiscale computational understanding and growth of 2D materials:a review显示文摘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 applications.This 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. | 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 | 2020 | npj Computational Materials2020，，1： | 4 |
| 2 | A computational framework for guiding the MOCVD-growth of wafer-scale 2D materials显示文摘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 verified.Correlation 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 approach.Large-area uniform 2D materials are synthesized via MOCVD,guided by computational analyses.The 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. | 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 | 2022 | npj Computational Materials2022，，1： | 0 |
| 3 | Author Correction: A computational framework for guiding the MOCVD-growth of wafer-scale 2D materials显示文摘In this article the author name Nuruzzaman Sakib was incorrectly written as Nurruzaman Sakib.The original article has been corrected. | 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 | 2022 | npj Computational Materials2022，，1： | 0 |
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