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We show that atomically thin molybdenum disulfide (MoS2) crystals can grow without any underlying substrates into free-standing atomically-thin layers, maintaining their planar 2D form. Using this property, we present a new mechanism for 2D…
Previous calculations of the dielectric and optical properties of 2D materials often overlooked or circumvented the influence of vacuum spacing introduced in periodic calculations, which gave rise to mispredictions of the intrinsic…
Two-dimensional (2D) ferromagnetic materials have been exhibiting promising potential in applications, such as spintronics devices. To grow epitaxial magnetic films on silicon substrate, in the single-layer limit, is practically important…
The ability to predict the morphology of crystals formed by chemical reactions is of fundamental importance for the shape-controlled synthesis of nanostructures. Based on the atomistic mechanism for crystal growth under different driving…
Prediction of stable crystal structures at given pressure-temperature conditions, based only on the knowledge of the chemical composition, is a central problem of condensed matter physics. This extremely challenging problem is often termed…
Understanding structure at the interface between two-dimensional (2D) materials and 3D metals is crucial for designing novel 2D/3D heterostructures and improving the performance of many 2D material devices. Here, we quantify and discuss the…
Two-dimensional (2D) materials and heterostructures exhibit unique physical properties, necessitating efficient and accurate characterization methods. Leveraging advancements in artificial intelligence, we introduce a deep learning-based…
The functional properties of devices based on perovskite oxides depend strongly on the growth modes that dramatically affect surface morphology and microstructure of the hetero-structured thin films. To achieve atomically flat surface…
Isolating the features associated with different materials growth conditions is important to facilitate the tuning of these conditions for effective materials growth and characterization. This study presents machine learning models for…
Two-dimensional (2D) layered materials hosting dislocations have attracted considerable research attention in recent years. In particular, screw dislocations can result in a spiral topology and an interlayer twist in the layered materials,…
Two-dimensional (2D) materials are poised to revolutionize current solid-state technology with their extraordinary properties. Yet, the primary challenge remains their scalable production. While there have been significant advancements,…
As an organic semiconductor and a prototypical acceptor molecule in organic photovoltaics, C$_{60}$ has broad relevance to the world of organic thin film electronics. Although highly uniform C$_{60}$ thin films are necessary to conduct…
The combination of two-dimensional (2D) materials into vertical heterostructures has emerged as a promising path to designer quantum materials with exotic properties. Here, we extend this concept from inorganic 2D materials to 2D…
Finding new two-dimensional (2D) materials with novel quantum properties is highly desirable for technological innovations. In this work, we studied a series of metal-organic frameworks (MOFs) with different metal cores and discovered…
We investigate the stress-driven morphological instability of epitaxially growing multilayer films, which are coherent and dislocation-free. We construct a direct elastic analysis, from which we determine the elastic state of the system…
Moir\'e superlattice in two-dimensional (2D) materials provides a powerful platform to engineer emergent electronic states, yet the construction of moir\'e superlattices remains lab-scale, involving much trial and error and with little…
Lattice {\em Kirigami}, ultra-light metamaterials, poly-disperse aggregates, ceramic nano-lattices, and two-dimensional (2-D) atomic materials share an inherent structural discreteness, and their material properties evolve with their shape.…
Two-dimensional (2D) materials have disrupted materials science due to the development of van der Waals technology. It enables the stacking of ultrathin layers of materials characterized by vastly different electronic structures to create…
Vertically-stacked monolayers of graphene and other atomically-thin 2D materials have attracted considerable research interest because of their potential in fabricating materials with specifically-designed properties. Chemical vapor…
The dynamics of suspended two-dimensional (2D) materials has received increasing attention during the last decade, yielding new techniques to study and interpret the physics that governs the motion of atomically thin layers. This has led to…