Ying Dai

TL;DR: In this paper, structural, electronic, and optical properties of various N-doped SnO2 were investigated using first-principles calculations, and the calculated formation energies showed that both the substitutional and the interstitial N atoms are preferentially occupied in anion sites, while the N defect formation energies in the O-rich conditions are much lower than that in the Sn-rich ones.

TL;DR: In this article, the structure, electronic, and optical properties of GaN-rich Ga1−xZnxN1−ox (x = 0.125) solid solution have been investigated systemically by means of density functional theory calculations within the generalized gradient approximation (GGA).

TL;DR: In this paper, first-principles calculations demonstrate that the substitutional B anion and B cation doped TiO2 both produce a spin magnetic moment of 1.0 μB despite their different mechanisms.

TL;DR: Transparent and conducting zirconium-doped zinc oxide films have been prepared by radio frequency magnetron sputtering at room temperature as mentioned in this paper, and the films are polycrystalline with a hexagonal structure and a preferred orientation along the c axis.

TL;DR: Novel α-Fe(2)O(3) hollow polyhedra structures with single crystalline thin shells were synthesized by a facile one-pot template-free hydrothermal method, which exhibit high efficiency on the decoloration of RhB aqueous solution in the presence of H(2]O(2).