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Review of computational advances in tailoring magnesium-hydrogen interactions: Atomistic simulations meet machine learning
The interaction between hydrogen and magnesium holds significant importance across
various applications such as hydrogen storage, tunable optical devices and energy …
various applications such as hydrogen storage, tunable optical devices and energy …
First-principles calculations on superconductivity and H-diffusion kinetics in Mg–B–H phases under pressures
Focusing towards ternary metal hydrides has recently been regarded as a new avenue for
research in pressure-dependent high-temperature superconductors, thanks highly to a fairly …
research in pressure-dependent high-temperature superconductors, thanks highly to a fairly …
Prediction of potential high-temperature superconductivity in ternary Y–Hf–H compounds under high pressure
Y Wang, Y **, F Yang, J Zhang, C Zhang, F Kuang… - Scientific Reports, 2024 - nature.com
Compressed ternary alloy superhydrides are currently considered to be the most promising
competitors for high-temperature superconducting materials. Here, the stable …
competitors for high-temperature superconducting materials. Here, the stable …
(La,Th)H10: Potential High-Tc (242 K) Superconductors Stabilized Thermodynamically below 200 GPa
The recent experimental discovery of high-pressure superconductivity in (La, Y) H10,(La,
Ce) H9,(La, Ce) H10,(Y, Ce) H9, and (La, Nd) H10 confirms that ternary rare-earth clathrate …
Ce) H9,(La, Ce) H10,(Y, Ce) H9, and (La, Nd) H10 confirms that ternary rare-earth clathrate …
Potential high-Tc superconductivity in YCeHx and LaCeHx under pressure
Lanthanum, yttrium, and cerium hydrides are the three most well-known superconducting
binary hydrides (La–H, Y–H, and Ce–H systems), which have gained great attention in both …
binary hydrides (La–H, Y–H, and Ce–H systems), which have gained great attention in both …
Prediction of ambient-pressure superconductivity in ternary hydride PdCuHx
We present an ab initio study of the ternary hydride PdCuH x, a parent compound of the
superconducting PdH, at different hydrogen content ( x= 1, 2). We investigate its …
superconducting PdH, at different hydrogen content ( x= 1, 2). We investigate its …
First-principles investigation of stability and superconductivity in ternary Yttrium–Praseodymium hydrides under high pressure
Recent progress on the theoretical and experimental aspects of ternary superhydrides has
confirmed their potential to synthesize the most anticipated room-temperature …
confirmed their potential to synthesize the most anticipated room-temperature …
First‐Principles Estimation of Low‐Pressure Superconductivity in KC2H8 Ternary Hydride
Very recently, much research progress has been made on the pressure‐induced
superconducting state in ternary hydrides. Herein, an ab initio study of the KC2H8 ternary …
superconducting state in ternary hydrides. Herein, an ab initio study of the KC2H8 ternary …
High‐Temperature Ternary Superhydrides: A Strategic Roadmap to Optimal Superconducting Parameters
This study investigates the superconducting properties of ternary hydrogen‐rich compounds
to elucidate the factors that limit their critical temperature (Tc). Through a systematic analysis …
to elucidate the factors that limit their critical temperature (Tc). Through a systematic analysis …
Superconductivity above 180 K in Ca-Mg ternary superhydrides at megabar pressures
The discovery of high-temperature superconductivity above 240 K in binary La-H and YH
systems inspired further predictions of even higher transition temperatures in compounds …
systems inspired further predictions of even higher transition temperatures in compounds …