Over the past decade, research on atomically thin two-dimensional (2D) transition metal
dichalcogenides (TMDs) has expanded rapidly due to their unique properties such as high …

Employing a comprehensive structure search and high-throughput first-principles calculation
method on 1561 compounds, the present study reveals the phase diagram of Lu–H–N. In …

The weak van der Waals gap endows two dimensional transition metal dichalcogenides (2D
TMDs) with the potential to realize guest intercalation and host exfoliation. Intriguingly, the …

Sodium-ion batteries are a viable alternative to lithium-ion technology due to the plentiful
sodium resources. However, certain commercialization challenges, such as low specific …

Electrides have emerged as promising materials with exotic properties due to the presence
of localized electrons detached from all atoms. Despite the continuous discovery of many …

All-solid-state batteries which use inorganic solid materials as electrolytes are the futuristic
energy storage technology because of their high energy density and improved safety. One of …

Finding viable Kagome lattices is vital for materializing novel phenomena in quantum
materials. In this study, we performed element substitutions on CsV 3 Sb 5 with space group …

In this work, we have proposed a data-driven screening framework combining the
interpretable machine learning with high-throughput calculations to identify a series of metal …

This article reports a simple hydrothermal method for synthesizing nickel disulfide (NiS2) on
the surface of fluorine-doped tin oxide (FTO) glass, followed by the deposition of 5 nm Au …