This paper presents Density Functional Theory and Non-Equilibrium Green’s Function based First Principles calculations to explore the sensing property of Adenine and Thymine based hetero-junction chins for Ammonia and Phosphine gas molecules. This modeling and simulation technique plays an important and crucial role in the fast growing semiconductor based nanotechnology field. The hetero-juncti...

The p–n junction i–u characteristic model is decisive for the accuracy enhancement of calibration-free temperature measurement. In this paper, we give a survey of adapted physically-based p–n junction i–u characteristic models, such as the Ebers–Moll2, the Ebers–Moll3, and the Gummel–Poon model. Furthermore, we build new models through polynomial extensions to the fundamental Shockley model. Th...

The electrical nature of the nanoscale contact between metal nanodots and semiconductor rods has drawn significant interest because of potential applications for metal-semiconductor hybrid nanostructures in energy conversion or heterogeneous catalysis. Here, we studied the nanoscale electrical character of the Pt/CdSe junction in Pt/CdSe/Pt nanodumbbells on connected Au islands by conductive-pr...

The first-principles calculations are performed to investigate the electronic properties and the atomic mechanism of the single layer MoS2 or WS2 homo-junction structure. The results reveal that both the stability and electronic structure of the homo-junction structure are greatly affected by the type of boundaries, which connect the different phase structures, either the semiconducting hexagon...