The abundance and distribution of microplastic (<5 mm) has become a growing concern, particularly over the past decade. Research to date has focused on water, soil, and organism matrices but generally disregarded air. We explored airborne microplastic . . .

In this paper we use a three-dimensional Pauli master equation to investigate the charge carrier mobility of a two-phase system which can mimic donor-acceptor and amorphous-crystalline bulk heterojunctions. By taking the energetic disorder of each pha . . .

All-electron first-principles total energy electronic structure calculations were carried out for single chains of four nucleotide base stacks (composed of adenine, thymine, guanine, and cytosine, respectively) in the DNA B conformation (3.36 Angstrom . . .

We propose a theoretical method that can predict carrier mobility in disordered semiconducting polymers and organic semiconductors from first principles. The method is based on nonadiabatic ab initio molecular dynamics and static master equation, trea . . .

A statistical mechanical distance constraint model (DCM) is presented that explicitly accounts for network rigidity among constraints present within a system. Constraints are characterized by local microscopic free-energy functions. Topological rearra . . .