Abstract Two-dimensional (2D) magnetic materials draw an enormous amount of attention
due to their novel physical properties and potential spintronics device applications. Room …

We present a density functional theory based study of a two-dimensional ferromagnetic
Janus VXY (X= Cl, Br, I; Y= S, Se, Te) structure. The dynamical and thermal stabilities of all …

Composite nanofibres of copper (II) with various polymer matrices have been frequently
reported. However, due to the lack of solubility of the Cu (I) moieties, Cu (I) electrospinning …

In this work, we investigate a new phase of two-dimensional Janus PtXY (X, Y= S, Se, Te;
X≠ Y) monolayers named pentagonal (Penta-PtXY) using the first-principles calculations …

First-principles density functional investigations of the structural, electronic, optical and
thermodynamic properties of K3VO4, Na3VO4 and Zn3V2O8 were performed using …

Two-dimensional (2D) ferromagnetic materials with Curie temperature (T c) above room
temperature have great potential ranging from spintronics to information processing and …

Special binding sites in graphene are beneficial for near-surface interaction. These binding
sites, which are supplied by single-atom catalysts, change the electronic characteristics of …

As a paradigm of exploiting electronic-structure engineering on semiconductor superlattices
to develop advanced dielectric film materials with high electrical energy storage, the n …

Improvement of existing material properties is necessary for high-efficiency thermoelectric
power conversion, but novel thermoelectric materials must also be predicted and …

Janus Sb and Bi monolayers as a new class of 2D topological insulator materials, which
could be fulfilled by asymmetrical functionalizations with methyl or hydroxyl, are …