Related papers: Computational Synthesis of 2D Materials: A High-th…
Two-dimensional (2D) material heterostructures have attracted considerable attention owing to their interesting and novel physical properties, which expand the possibilities for future optoelectronic, photovoltaic, and nanoelectronic…
The discovery of two-dimensional (2D) magnetism within atomically thin structures derived from layered crystals has opened up a new realm for exploring magnetic heterostructures. This emerging field provides a foundational platform for…
Two-dimensional (2D) binary transition-metal chalcogenides (TMCs) like molybdenum disulfide exhibits excellent properties as materials for light adsorption devices. Alloying binary TMCs can form 2D compositionally complex TMC alloys…
We report a deterministic 2D material (2DM) transfer method to assemble any-stacking-order heterostructures incorporating suspended ultra-thin 2D materials, such as single-layer graphene (SLG) and bilayer graphene (BLG). The transfer…
In this thesis we investigate high throughput computational methods for processing large quantities of data collected from synchrotrons and their application to spectral analysis of powder diffraction data. We also present the main product…
Supercapacitors or ultracapacitors are promising for efficient energy storage applications, owing to their high power density, high charge-discharge rates, and long cycle life performance. To achieve this goal, a large specific surface…
Generative model for 2D materials has shown significant promise in accelerating the material discovery process. The stability and performance of these materials are strongly influenced by their underlying symmetry. However, existing…
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…
High-entropy MBenes (HE-MBenes) represent a promising, unexplored class of 2D materials for electrocatalysis. In this work, we present a systematic computational screening of 56 equiatomic quinary HE-MBene compositions from the {Ti, V, Cr,…
Two-dimensional (2D) materials exhibit a wide range of electronic properties that make them promising candidates for next-generation nanoelectronic devices. Accurate prediction of their quantum transport behavior is therefore of both…
Research on 2D materials has achieved significant milestones and fuelled a rapidly growing industrial sector. This progress, however, is accompanied by challenges in reproducibility, arising from the atomic thinness, fragility, and…
Integrating layered two-dimensional (2D) materials into 3D heterostructures offers opportunities for novel material functionalities and applications in electronics and photonics. In order to build the highest quality heterostructures, it is…
The increasing prevalence of pharmaceutical contaminants within the aquatic environment has generated considerable environmental concerns, especially regarding persistent anticancer medications like the kinase inhibitor sorafenib (SRF),…
Two-dimensional (2D) materials assembled into van der Waals (vdW) heterostructures contain unlimited combinations of mechanical, optical, and electrical properties that can be harnessed for potential device applications. Critically, these…
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 discovery of novel substrate materials has been dominated by trial and error, opening the opportunity for a systematic search. To identify stable crystal surfaces, we generate bonding networks for materials from the Materials Project…
The field of two-dimensional (2D) materials has grown dramatically in the last two decades. 2D materials can be utilized for a variety of next-generation optoelectronic, spintronic, clean energy, and quantum computation applications. These…
Dielectric structures composed of many inclusions that manipulate light in ways the bulk materials cannot are commonly seen in the field of metamaterials. In these structures, each inclusion depends on a set of parameters such as location…
The most widely used method for obtaining high-quality two-dimensional materials is through mechanical exfoliation of bulk crystals. Manual identification of suitable flakes from the resulting random distribution of crystal thicknesses and…
Two-dimensional (2D) superconductors provide a powerful building block for engineering emergent quantum states shaped by reduced dimensionality, enhanced quantum fluctuations, and interfacial symmetry breaking. In van der Waals…