Over the past few decades, molecular dynamics simulations and first-principles calculations
have become two major approaches to predict the lattice thermal conductivity (κ L), which …

Abstract Three-dimensional (3D) printing has stood out as a reliable technology to construct
carbon microlattice electrodes for supercapacitors (SCs) in the field of custom areal …

The Poisson's ratio of two-dimensional materials such as graphene can be tailored by
surface hydrogenation. The density and distribution of hydrogenation may significantly affect …

Thermal barrier coatings (TBCs) have a unique advantage in aviation engines and industrial
gas turbines due to their low thermal conductivity (TC). Rare-earth zirconate ceramics RE 2 …

This study explores two new boron nitride polymorphs, namely C222 1 BN and I-4 BN,
characterized by sp 2 hybridization. The investigation is conducted through first-principles …

The lattice thermal conductivity stands as a pivotal thermos-physical parameter of high-
entropy alloys; nonetheless, achieving precise predictions of the lattice thermal conductivity …

Thermoelectric materials can be utilized to build devices that convert waste heat to power or
vice versa. In the literature, the best-known thermoelectrics, however, are based on rare …

Two new boron nitride polymorphs, C2221 BN and I-4 BN, with sp2 hybridization are
investigated in this work by first-principles calculations, including the structural properties …

Two-dimensional materials and their alloys remain under interest of scientists, due to their
very appealing and conceivably tunable properties. CxByN1− x− y graphenelike alloys …