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...

We propose a formalism for deriving force-elongation and elongation-force relations flexible chain molecules from analytical expressions their radial distribution function, which provides insight into the factors controlling asymptotic behavior finite length corrections. In particular, we apply this to our previously developed interpolation formula wormlike end-to-end distance distribution. The...

Inside front cover image: Understanding the phase separation mechanism of small-molecule semiconductor and polymer blends is crucial for optimizing morphology high performance solution-processing organic electronics. In this article, morphologies small-molecule/polymer films formed by blending a small molecule with polystyrene different chain architectures field-effect transistors were investig...

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...