The first-principles study employed on chromium-based hydride XCrH 3 (X: Na, K) is the first
time studied and investigated different physical properties incorporated for optoelectronics …

Hydrogen can be stored in the interstitial sites of the lattices of intermetallic compounds. To
date, intermetallic compound LaNi5 or related LaNi5-based alloys are known to be practical …

K2SiH6, crystallizing in the cubic K2PtCl6 structure type (Fm 3̅ m), features unusual
hypervalent SiH62–complexes. Here, the formation of K2SiH6 at high pressures is revisited …

We have studied Na-Li-H compositions by mixing cations of Na and Li under high pressure
using ab initio random structure searching and cluster expansion techniques. We have …

The formation of ternary hydrogen-rich hydrides involving the first-row transition metals TM=
Fe and Co in high oxidation states is demonstrated from in situ synchrotron diffraction …

The Na–W–H and Na–Re–H ternary systems were studied in a diamond anvil cell through X-
ray diffraction and Raman spectroscopy, supported by density functional theory and …

Hydrogenation reactions at gigapascal pressures can yield hydrogen-rich materials with
properties relating to superconductivity, ion conductivity, and hydrogen storage. Here, we …

ABSTRACT The European Synchrotron Radiation Facility (ESRF)'s large-volume press
(LVP) instrument, at beamline ID06-LVP, is in constant evolution and made a significant step …

In this letter, we propose ternary nickel hydrides MNiH2 (M= Li, Na) as new materials that
mimic cuprate physics but have important differences and interesting properties. Ni-H bands …

Borides are technologically-important materials in various fields. However, the synthesis of
novel alkali metal-transition metal-borides is challenging due to the enormous difference in …