The thermal runaway gases, such as CO, CO 2, CH 4, and C 2 H 4, will leak from the battery
electrolyte when lithium batteries in extreme discharge or thermal runaway conditions. The …

Recent findings shed light on performing fundamental experiments for preparation of metal
monolayer stanene, which is a zero band gap semiconductor material with buckled …

The adsorption of phenol, hydrazine and thiophene molecules on the stanene monolayers
were investigated using the density functional theory calculations. Various adsorption …

Montmorillonite, as a natural mineral adsorption material that has high research value in
water pollution treatment. However, the adsorption capacity varies depending on the type of …

We have thoroughly investigated the interaction of some gas molecules (CO, NO, N2O and
NH3) with Pd-decorated stanene nanosheets using density functional theory calculations. In …

Based on the density functional theory (DFT) calculations, we explored the sensing
capabilities and electronic structures of TiO 2/Stanene heterostructures as novel and highly …

Background Due to enormous unique properties and wide applications in several sectors,
plumbene, the two dimensional single atomic layer of lead is the centre of attraction for …

Abstract Based on the First Principle's density functional theory, we have investigated the
structural and electronic properties of pristine aluminum nitride nanotube (AlNNT), which is …

Adsorption of pollutant gas molecules (NO2, SO2, and O3) on the surface of the Al-doped
stanene nanotube was investigated within the first principle calculations of density functional …

By using the first principles calculations, the structural and electronic properties of
substitutionally group III/V elements codoped buckled tin nanotubes were investigated in …