Borophene, a monolayer of boron, has risen as a new exciting two-dimensional (2D)
material having extraordinary properties, including anisotropic metallic behavior and flexible …

The emergence of novel two-dimensional (2D) monoelemental materials (Xenes) has
shown remarkable potential for their applications in different fields of technology, as well as …

Ferroelectric materials are fascinating for their non-volatile switchable electric polarizations
induced by the spontaneous inversion-symmetry breaking. However, in all of the …

Progress in the discovery of new materials has been accelerated by the development of
reliable quantum-mechanical approaches to crystal structure prediction. The properties of a …

The synthesis of 2D materials with no analogous bulk layered allotropes promises a
substantial breadth of physical and chemical properties through the diverse structural …

At the atomic-cluster scale, pure boron is markedly similar to carbon, forming simple planar
molecules and cage-like fullerenes. Theoretical studies predict that two-dimensional (2D) …

Borophene (the first two-dimensional (2D) allotrope of boron) is emerging as a
groundbreaking system for boron-based chemistry and, more broadly, the field of low …

We demonstrate the application of deep neural networks as a machine-learning tool for the
analysis of a large collection of crystallographic data contained in the crystal structure …

The prevalent catalysts for natural and artificial N2 fixation are transition-metal (TM) atoms.
By using density functional theory computations, several TM atoms embedded on boron …

Situated between metals and non-metals in the periodic table, boron is one of the most
chemically versatile elements, forming at least sixteen bulk polymorphs composed of …