Dongchao Wang

TL;DR: In this paper, the phase transition and structural evolution of KN3 were systematically studied using first-principles density functional (DFT) methods and the particle swarm optimization (PSO) structure search algorithm under pressures up to 400 GPa.

TL;DR: Four newly proposed two-dimensional systems are verified to be quantum spin Hall (QSH) insulators by calculating the edge states with obvious linear cross inside bulk energy gap and it should be pointed out that the large energy gap in these 2D materials consisted of commonly used element is quite promising for practical applications of QSH insulators at room temperature.

TL;DR: A H2S gas sensor with high sensitivity at and below room temperature, even as low as −30 °C, based on Cu2O/Co3O4 nano/microstructure heteroarrays prepared by 2D electrodeposition technique is proposed, which demonstrates excellent sensitivity, sub-ppm lever detection, fast response, and high activity at low temperature.

TL;DR: In this article, density functional theory calculations have been carried out to investigate the electronic structure of Cr2O3 after applying strain and doping vacancy defects, and the results indicate that the tensile strain will decrease the gap, while the compressive strain will increase the gap and the planar biaxial strain has more remarkable effects on electronic structure modulation than that of out-of-plane strain.