Lead (Pb) free non-toxic perovskite solar cells have become more important in the
commercialization of the photovoltaic devices. In this study the structural, electronic, optical …

In this article, a detailed study of the recently synthesized MAX phase borides M 2 SB (M= Zr,
Hf and Nb) has been performed via first principles technique. Investigation of mechanical …

We have carried out a first-principles investigation of mechanical, electronic, thermodynamic
and optical properties of the recently predicted thermodynamically stable MAX phase boride …

This study explored the phase stability of TM 3 AlC 2 (TM= Ti, Zr and Hf) and related ternary
competing MAX phases, as well as the elastic properties, ideal tensile strength, electronic …

Semiconducting lead (Pb) free organic-inorganic hybrid perovskites have become more
attractive for possible applications in solar cells and other optoelectronic devices. In this …

MAX phases are a large group of nanolaminated carbide and nitride materials of immense
scientific and technological interest. Materials of this class are known as metallic ceramics …

In this study, the mechanical stability, elastic properties, including single-crystal elastic
constants, polycrystalline elastic modulus and elastic anisotropy, Debye temperatures …

In this work we examine, via density functional theory (DFT), material properties of the
recently synthesized Lu-based MAX phase Lu 2 SnC and facilitate comparison with the Sn …

Abstract 212 MAX phase borides are new additions to the MAX phase family with enhanced
thermo-mechanical properties. In this article, first-principles calculations have been carried …

MAX phase series materials have excellent thermal, electrical and mechanical properties,
and have great research potential. In this work, the structural characteristics, elastic …