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Abstract Two-dimensional (2D) ferroelectric and magnetic van der Waals materials are emerging platforms for the discovery of novel cooperative quantum phenomena and development of energy-efficient logic and memory applications as well as neuromorphic and topological computing. This review presents a comprehensive survey of the rapidly growing 2D ferroic family from the synthesis perspective, including brief introductions to the top-down and bottom-up approaches for fabricating 2D ferroic flakes, thin films, and heterostructures as well as the important characterization techniques for assessing the sample properties. We also discuss the key challenges and future directions in the field, including scalable growth, property control, sample stability, and integration with other functional materials.
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Modeling and simulations for 2D materials: a ReaxFF perspective
Abstract Recent advancements in the field of two-dimensional (2D) materials have led to the discovery of a wide range of 2D materials with intriguing properties. Atomistic-scale simulation methods have played a key role in these discoveries. In this review, we provide an overview of the recent progress in ReaxFF force field developments and applications in modeling the following layered and nonlayered 2D materials: graphene, transition metal dichalcogenides, MXenes, hexagonal boron nitrides, groups III-, IV- and V-elemental materials, as well as the mixed dimensional van der Waals heterostructures. We further discuss knowledge gaps and challenges associated with synthesis and characterization of 2D materials. We close this review with an outlook addressing the challenges as well as plans regarding ReaxFF development and possible large-scale simulations, which should be helpful to guide experimental studies in a discovery of new materials and devices.
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- PAR ID:
- 10422508
- Publisher / Repository:
- IOP Publishing
- Date Published:
- Journal Name:
- 2D Materials
- Volume:
- 10
- Issue:
- 3
- ISSN:
- 2053-1583
- Page Range / eLocation ID:
- Article No. 032002
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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