The structure prediction at the atomic level is emerging as a state-of-the-art approach to
accelerate the functionality-driven discovery of materials. By combining the global swarm …

Metal borides have received a lot of attention recently as a potentially useful material for a
wide range of applications. In particular, molybdenum‐based borides and MBenes are of …

Rechargeable batteries based on lithium (sodium) metal anodes have been attracting
increasing attention due to their high capacity and energy density, but the implementation of …

ABSTRACT A new 2D material, borophene, has been grown successfully recently on single
crystal Ag substrates. Three main structures have been proposed (, and striped borophene) …

Tungsten borides are among a distinct class of transition-metal light-element compounds
with superior mechanical properties that rival those of traditional superhard materials. An in …

All molybdenum borides with various phases such as Mo2B, α-MoB, β-MoB, and MoB2 have
been found to possess excellent electrocatalytic hydrogen evolution reaction (HER) activity …

Two-dimensional (2D) materials have attracted considerable interest due to their remarkable
properties and potential applications for nanoelectronics, electrodes, energy storage …

High elastic moduli do not guarantee high hardness because upon finite shear electronic
instabilities often occur that result in transformation to softer phases. Therefore, the author …

The first-principles calculations were used to predict the anisotropic elasticity and thermal
properties of hexagonal (hP4-WB 3, hP8-WB 3 and hP16-WB 3) and trigonal (hR24-WB 3) …

DOI: 10.1002/adma. 201604003 high electrical conductivity has been an urgent task, calling
for more experimental effort along this direction. During last decade, the borides of transition …