Effective reuse of waste heat energy is an important energy savings issue for green
transformation. In general, phase-change heat storage materials cannot store energy for a …

MXene-like MOenes have shown intriguing properties, such as superconductivity in Ti 2 O
monolayers, direct band gaps, exotic quantum phase transitions, and strong light harvesting …

Using first-principles calculations, we predict the two-dimensional (2D) monolayer boron-
nitrogen compound B 3 N, which shows a honeycomb lattice similar to graphene. Its stability …

This study investigates the optical and thermoelectric properties of metallic (cubic TiO,
monoclinic TiO, and γ-Ti3O5) and semiconducting (Ti2O3, α-Ti3O5, β-Ti3O5, Ti4O7, and …

The highest ambient‐pressure Tc among binary compounds is 40 K (MgB2). Higher Tc is
achieved in high‐pressure hydrides or multielement cuprates. Alternatively, are explored …

Tantalum (Ta) is an interesting transition metal that exhibits superconductivity in its
elemental states. Additionally, several Ta chalcogenides (S and Se) have also demonstrated …

A recent experiment by PF Shan et al.(arXiv: 2304.09011) found that rhenium trioxide ReO
3, a simple metal at ambient pressure, becomes superconducting with a transition …

In contrast to conventional polycrystalline titanium oxide (TiO), it was found recently that the
superconducting transition temperature T c can be significantly enhanced from about 2 K to …

Although hydrides such as LaH 10 \left(LaH\right)_10 are experimentally confirmed to
possess high superconducting critical temperature (T c T_c) of 250–260 K under 170–200 …

In the present work, the variable-composition crystal structure prediction algorithm USPEX
was combined with first-principles calculations to systematically explore stable PdH x …