Structural materials have lagged behind other classes in the use of combinatorial and high-
throughput (CHT) methods for rapid screening and alloy development. The dual …

Organic crystals are emerging as mechanically compliant, light-weight and chemically
versatile alternatives to the commonly used silica and polymer waveguides. However, the …

Nowadays, designing a two-dimensional (2D) van der Waals heterostructure (vdWH) is one
of the most promising methods for improving photocatalytic performance and harvesting …

Machine learning potentials (MLPs) capable of accurately describing complex ab initio
potential energy surfaces (PESs) have revolutionized the field of multiscale atomistic …

An efficient automated toolkit for predicting the mechanical properties of materials can
accelerate new materials design and discovery; this process often involves screening large …

Zero-valent intercalation of atomic metals into the van der Waals gap of layered materials
can be used to tune their electronic, optical, thermal, and mechanical properties. Here, we …

The effect of boron doping in Fe 50− X Mn 30 Co 10 Cr 10 BX multi-component alloys on the
resulting stacking fault energy has been experimentally and computationally assessed to …

Abstract Two-dimensional (2D) materials have been considered as promising applicants, to
address the existing energy crisis, for solar energy conversion and photocatalytic water …

Composite electrolyte membranes with 3D nanofiber network structure, which can adjust
internal stress to achieve cyclic stability, has been proved to play an important role in the …

Recently, the synthesis of 2D MoSi 2 N 4 (Science; 2020; 369; 670) proclaimed the dawn of
a new family of 2D MA 2 Z 4 materials. In this regard, through first-principles calculations, we …