Related papers: High Performance Ternary Alkali Nitrides for Renew…
The advancement of semiconductor materials has played a crucial role in the development of electronic and optical devices. However, scaling down semiconductor devices to the nanoscale has imposed limitations on device properties due to…
The group IV-VI compound SnSe, with an orthorhombic lattice structure, has recently attracted particular interest due to its unexpectedly low thermal conductivity and high power factor, showing great promise for thermoelectric applications.…
Heterogeneous and monolithic integration of the versatile low loss silicon nitride platform with low temperature materials such as silicon electronics and photonics, III-V compound semiconductors, lithium niobate, organics, and glasses, has…
This study comprehensively characterizes, with suggested applications, a novel two-dimensional carbon allotrope, C$_{16}$, using Density Functional Theory and machine learning-based molecular dynamics. This nanomaterial is derived from…
The search for high-temperature superconductors in hydrides under high pressure has always been a research hotspot. Hydrogen-based superconductors offer an avenue to achieve the long-sought goal of superconductivity at room temperature. We…
Magnetic semiconductors may soon improve the energy efficiency of computers, but materials exhibiting these dual properties remain underexplored. Here, we report the computational prediction and realization of a new magnetic and…
Highly efficient and sustainable resources of energy are of great demand today to combat with environmental pollution and the energy crisis. In this work, we have examined the novel 2D Janus AsTeX (X = Cl, Br and I) monolayers using…
Aluminum scandium nitride (AlScN) has emerged as a highly promising material for high-temperature applications due to its robust piezoelectric, ferroelectric, and dielectric properties. This study investigates the behavior of Al0.7Sc0.3N…
Thin-film solar cells based on the semiconductor Cu$_2$ZnSnS$_4$ (CZTS) are a promising candidate for Terawatt-scale renewable energy generation. While CZTS is composed of earth abundant and non-toxic elements, arranged in the kesterite…
A high-throughput screening based on first-principles calculations was performed to search for new ternary inorganic electrides. From the available materials database, we identified three new thermodynamically stable materials…
Antiperovskite nitrides are potential candidates for applications harvesting solar light. With a comprehensive state-of-the-art approach combining hybrid density-functional theory, many-body perturbation theory, the Wannier-Mott model,…
In silico design of new molecules and materials with desirable quantum properties by high-throughput screening is a major challenge due to the high dimensionality of chemical space. To facilitate its navigation, we present a unification of…
This work systematically investigates the potential of the hybrid anion semiconductor AgBiSCl2 for photovoltaic and thermoelectric applications, aiming to provide theoretical guidance for high-performance energy conversion devices.…
Sub-micrometer thin films are promising platforms for emerging flexible photovoltaic devices. Although the current market already produces efficient solar cells, the average wafer thickness of these devices remains far from the…
While hydrogen-rich materials have been demonstrated to exhibit high T$_c$ superconductivity at high pressures, there is an ongoing search for ternary and quaternary hydrides that achieve such high critical temperatures at much lower…
We study a newly predicted layered-ternary compound Ti4SiN3 in its {\alpha}- and {\beta}-phases. We calculate their mechanical, electronic and optical properties and then compare these with those of other compounds M4AX3 (M = V, Ti, Ta; A =…
Modern advances in generating ultrabright electron beams have unlocked unprecedented experimental advances based on synchrotron radiation. Current challenges lie in improving the quality of electron sources with novel photocathode materials…
Solar energy is a renewable resource of energy that is broadly utilized and has the least emissions among renewable energies. In this study, machine learning methods of artificial neural networks (ANNs), least squares support vector…
We demonstrate wideband integrated photonic circuits in sputter-deposited aluminum nitride (AlN) thin films. At both near-infrared and visible wavelengths, we achieve low propagation loss in integrated waveguides and realize high-quality…
Nanostructuring has spurred a revival in the field of direct thermoelectric energy conversion. Nanograined materials can now be synthesized with higher figures of merit (ZT) than the bulk counterparts. This leads to increased conversion…