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Crystal defects in hexagonal boron nitride (hBN) are emerging as versatile nanoscale optical probes with a wide application profile, spanning the fields of nanophotonics, biosensing, bioimaging and quantum information processing. However,…
Progress in functional materials discovery has been accelerated by advances in high throughput materials synthesis and by the development of high-throughput computation. However, a complementary robust and high throughput structural…
Moir\'e superlattices in twisted two-dimensional materials have generated tremendous excitement as a platform for achieving quantum properties on demand. However, the moir\'e pattern is highly sensitive to the interlayer atomic registry,…
Here we analyze multiple symmetry-inequivalent atomic configurations across the entire composition range of the isovalent and isostructural Mo$_x$W$_{1-x}$S$_2$ alloy using density-functional theory and Monte Carlo simulations. Our results…
The inverse design of metamaterial architectures presents a significant challenge, particularly for nonlinear mechanical properties involving large deformations, buckling, contact, and plasticity. Traditional methods, such as gradient-based…
Nanoscale tailoring of the optoelectronic response of 2D Transition Metal Dichalcogenides semiconductor layers (TMDs) has been achieved thanks to a novel strain engineering approach based on the grayscale thermal-Scanning Probe Lithography…
The coherence of quantum dot qubits fabricated in semiconductors is often limited by charge noise from defects in gate dielectrics, which are material- and process-dependent. Characterizing these defects is an important step towards…
Scanning transmission electron microscopy (STEM) has become a cornerstone instrument for semiconductor materials metrology, enabling nanoscale analysis of complex multilayer structures that define device performance. Developing effective…
Topological defects play a key role in the structures and dynamics of liquid crystals (LCs) and other ordered systems. There is a recent interest in studying defects in different biological systems with distinct textures. However, a robust…
Two-dimensional (2D) crystals are attracting growing interest in various research fields such as engineering, physics, chemistry, pharmacy and biology owing to their low dimensionality and dramatic change of properties compared to the bulk…
Within the framework of many-body perturbation theory (MBPT) integrated with density functional theory (DFT), a novel defect-subspace projection GW method, the so-called p-GW, is proposed. By avoiding the periodic defect interference…
Metasurfaces, with their ability to control electromagnetic waves, hold immense potential in optical device design, especially for applications requiring precise control over dispersion. This work introduces an approach to dispersion…
In the field of transmission electron microscopy, data interpretation often lags behind acquisition methods, as image processing methods often have to be manually tailored to individual datasets. Machine learning offers a promising approach…
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…
Individual atomic defects in 2D materials impact their macroscopic functionality. Correlating the interplay is challenging, however, intelligent hyperspectral scanning tunneling spectroscopy (STS) mapping provides a feasible solution to…
Molybdenum disulfide (MoS2) has drawn great interest for tunable photonics and optoelectronics advancement. Its solution processing, though scalable, results in randomly networked ensembles of discrete nanosheets with compromised properties…
The development of novel strategies for self-assembly in the field of nanotechnology has witnessed remarkable progress in recent years. Here, we present a DNA-driven programmable self-assembly to fabricate the targeted nanophotonic…
Atomic resolution electron microscopy, particularly high-angle annular dark-field scanning transmission electron microscopy, has become an essential tool for many scientific fields, when direct visualization of atomic arrangements and…
While electron microscopy offers crucial atomic-resolution insights into structure-property relationships, radiation damage severely limits its use on beam-sensitive materials like proteins and 2D materials. To overcome this challenge, we…
Two-dimensional Transition-Metal Dichalcogenides (TMDs) are of great interest for second harmonic (SH) generation due to their large second-order susceptibility, atomically thin structure, and relaxed phase-matching conditions. TMDs are…