Space-fractional quantum heat engine based on level degeneracy

In order to examine the work and efficiency of the space-fractional quantum heat engine, we consider a model of the space-fractional quantum heat engine which has a Stirling-like cycle with a single particle under infinite potential well as an example. We numerically compute the work and efficiency for various fractional exponents. We show the work and the efficiency of the engine depending on the length of the potential well and fractional exponent of the engine. Furthermore, we show that fractional exponent plays a substantial role in the operating range of the quantum heat engine. Thus, we conclude that the fractional parameter can be used as a tuning parameter to obtain positive work and efficiency for the large size of the quantum heat engine. Additionally, the numerical results and model imply that the size of the engine can be enlarged in the nano-scale by using fractional deformations. As a result, in this study, we have not only shown that fractional deformations in space play an important role on the work and efficiency of the quantum heat engines but also introduced the concept of fractional quantum heat engines to the literature.

DOPANT EFFECT ON PHENALENE BANDGAP CONTROL: A HÜCKEL MOLECULAR ORBITAL PERSPECTIVE

In this study, we investigate the effects of nitrogen and boron dopants on the properties of phenalene/phenalenyl systems based on the Hückel theory by using the Hueckel Molecular Orbital software. The dopants configurations are graphitic, pyridinic, and pyrrolic. The electronic configuration of bare phenalene confirms the delocalization of π electrons and the radical properties of the molecule, which is in good agreement with the results of previous studies. Dopant types and positions strongly affect the number of π electrons in the system, molecular orbital energy, total energy, average π-electron energy, and gap energy. The molecular energy level degeneracy strongly depends on the rotational symmetry of the system, in the order of graphitic, pyridinic, and pyrrolic. A preserved radical behavior and the number of π electrons are found for the pyridinic dopant type, while closed electronic configuration is observed for graphitic and pyrrolic types. A lower gap energy is typically found for B-doped phenalene compared to that for N-doped phenalene; this opens the possibility for the enhancement of photoluminescence intensity. This study, although qualitative, confirms the effects of dopants on the chemical and physical properties of phenalene/phenalenyl systems.