Understanding diffusion in energy materials is critical to optimising the performance of solid
oxide fuel cells (SOFCs) and batteries both of which are of great technological interest as …

In order to improve mechanical properties, different Ta contents were added into
Ti42Al6Nb2. 6C alloys, which were prepared by vacuum arc melting. Microstructure …

Li‐ion batteries depend critically on the stability and capacity of the electrodes. In this
respect the recently synthesized two‐dimensional MXenes are promising materials, as they …

Materials from the MAX phase, such as the M 2 AlC (M= V, Nb, Ta) series carbides, exhibit
superior mechanical, electronic, and thermodynamic properties, making them highly …

To promote element diffusion in the solid-liquid two-phase region, optimize solidification
microstructure, and improve the matching degree of strength and toughness, Ti–46Al–8Nb …

MAX phases are layered ternary compounds that are mainly studied for their physical
properties and their use in the synthesis of MXenes. Their application in energy generation …

Abstract Alloys of Ti-46Al-6Nb-2.5 C-xTa (at.%) were prepared to adjust the γ/α 2 phase,
refine microstructures, and improve mechanical properties at room and elevated …

We present here a novel technique to calculate partial contributions to the optical properties
by atoms, elements, and layers. Following the same methodology as the calculation of the …

We performed an investigation of the early stage oxidation of the technologically relevant Cr
2 AlC (0 0 0 1) surface by ab initio calculations. In this work, the geometrical structure …

We have performed the ab initio calculations to study the role of correlation and relativistic
effects in MAX phases. As of now, there are more than 50 MAX phases reported in the …