Review of computational advances in tailoring magnesium-hydrogen interactions: Atomistic simulations meet machine learning

K Batalović, BP Mamula, MM Ilić, B Kuzmanović… - International Journal of …, 2024 - Elsevier
The interaction between hydrogen and magnesium holds significant importance across
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

W Sukmas, P Tsuppayakorn-aek, P Pluengphon… - International Journal of …, 2023 - Elsevier
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 …

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 …

(La,Th)H10: Potential High-Tc (242 K) Superconductors Stabilized Thermodynamically below 200 GPa

P Song, AP Durajski, Z Hou, A Ghaffar… - The Journal of …, 2024 - ACS Publications
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 …

Potential high-Tc superconductivity in YCeHx and LaCeHx under pressure

P Song, Z Hou, K Nakano, K Hongo, R Maezono - Materials Today Physics, 2022 - Elsevier
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 …

Prediction of ambient-pressure superconductivity in ternary hydride PdCuHx

R Vocaturo, C Tresca, G Ghiringhelli… - Journal of Applied …, 2022 - pubs.aip.org
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 …

First-principles investigation of stability and superconductivity in ternary Yttrium–Praseodymium hydrides under high pressure

KS Qin, P Song, K Hongo… - The Journal of Physical …, 2023 - ACS Publications
Recent progress on the theoretical and experimental aspects of ternary superhydrides has
confirmed their potential to synthesize the most anticipated room-temperature …

First‐Principles Estimation of Low‐Pressure Superconductivity in KC2H8 Ternary Hydride

AP Durajski, R Szczęśniak - physica status solidi (RRL)–Rapid …, 2023 - Wiley Online Library
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 …

High‐Temperature Ternary Superhydrides: A Strategic Roadmap to Optimal Superconducting Parameters

IA Wrona, P Niegodajew… - Advanced Functional …, 2025 - Wiley Online Library
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 …

Superconductivity above 180 K in Ca-Mg ternary superhydrides at megabar pressures

W Cai, VS Minkov, Y Sun, P Kong, K Sawchuk… - arxiv preprint arxiv …, 2023 - arxiv.org
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 …