Hydrogen in materials has attracted tremendous interest as its incorporation leads to
significant alterations in nanoscale structure, composition, and chemistry, impacting …

Recovering valuable materials from spent lithium-ion batteries is an important task because
of the asymmetry in resource distribution, supply, and demand around the world. A lithium …

Understanding of zeolitic imidazolate framework-8 (ZIF-8) interaction with different gas
molecules is crucial when ZIF-8 is used in gas separation. Computational studies based on …

We introduce SurfFlow, an open-source high-throughput workflow package designed for
automated first-principles calculations of surface energies in arbitrary crystals. Our package …

Lithium aluminate has attracted researchers' interests due to its wide applications. The
structural, electronic, optical, lattice phonon thermodynamic, and thermo-conductive …

Lowering work function (Φ) is considered to be an effective pathway to activate electron
transpiration cooling (ETC) thermal mechanism to solve the thermal barrier problem of …

X-ray absorption and hard X-ray excited optical luminescence were used to probe the
structural and optical properties of LiAl 5 O 8 doped with different Eu concentrations …

LiAl 5 O 8 is an important secondary phase of γ-LiAlO 2 ceramics in tritium (3 H, T)-
producing burnable absorber rods (TPBARs), present in small quantities in the as-fabricated …

Aims: The aim is to develop effective CO2 sorbent materials for fighting global climate
change. Background: CO2 is one of the major combustion products which once released …

The effects of neutron irradiation on lithium aluminate ceramics and the transport and
incorporation of tritium into surrounding components are primary concerns in the …