Journal of Computational Electronics最新文献

This work investigated a method for improving the efficiency of solar cells through the incorporation of carbon nanotubes (CNTs), which were used as the absorber layer of the solar cell. The CNTs were generated using plasma-enhanced chemical vapor deposition (PECVD). The use of the PECVD-generated CNTs in the absorber layer of the solar cell was found to increase the electrical conductivity due to the introduction of a large number of free charge carriers in the form of electrons and holes. We were thus able for the first time to estimate a relation between plasma variables and the efficiency of the proposed solar cell. The results showed that an increase in electron and ion density resulted in an increase in the efficiency of the solar cell, whereas an increase in electron and ion temperature led to a decrease in efficiency. We also studied the variation in efficiency in relation to the absorber layer of the proposed solar cell structure. The results obtained were consistent with those from previous studies based on solar cells.

Density functional theory (DFT) methods are employed to investigate the capability of B₃₆ borophene nanosheets as sensors for detecting the bromoacetone (BCT) molecule. An evaluation of the structural and electronic properties of both BCT and B₃₆ borophene is conducted. Subsequently, through computed metrics such as adsorption energy, charge density difference, and density of states, the interaction between B₃₆ and the BCT molecule is examined via dispersion-corrected density functional theory (DFT). Employing the reduced density gradient approach for the analysis of non-covalent interactions, we further explored the nature of these interactions. The obtained results illustrate that B₃₆ borophene nanosheets serve as effective sensors for the BCT molecule, showcasing their ability to adsorb up to five BCT molecules through an exothermic process. BCT molecules chemiadsorb onto B₃₆ borophene by forming B‒O covalent bonds, engaging the oxygen atom of the carbonyl group in BCT with the edge boron atoms of B₃₆ borophene. Additionally, BCT molecules physio-adsorb on both the concave and convex sides of B₃₆ borophene, facilitated by van der Waals interactions. Ab-initio molecular dynamic simulations confirm the thermal stability of the BCT@B₃₆ concave and convex complexes at both 300 K and 400 K.

The energy-loss tensor of bilayer and monolayer graphene is calculated according to the model expressed in Su et al. (Phys Rev Lett 42: 1698 1979). The size and geometry of the nanoscale carbon systems play an important role in their optical properties. Absorption bands of bilayer and monolayer graphene in the 2.81–8.0 eV region indicate sharp structures in each band. The molecular structure of these bands is localized and their crystalline order is long-range. In the x-direction of the electric field, the dielectric tensor and the energy-loss tensor of bilayer and monolayer graphene have the maximum amount. The importance of results for diamond, fullerene, graphite, and graphene is discussed.

Defect levels induced by defect-complexes in Ge play important roles in device fabrication, characterization, and processing. However, only a few defect levels induced by defect-complexes have been studied, hence limiting the knowledge of how to control the activities of numerous unknown defect-complexes in Ge. In this study, hybrid density functional theory calculations of defect-complexes involving oversize atom (indium) and n-type impurity atoms in Ge were performed. The formation energies, defect-complex stability, and electrical characteristics of induced defect levels in Ge were predicted. Under equilibrium conditions, the formation energy of the defect-complexes was predicted to be within the range of 5.90–11.38 eV. The defect-complexes formed by P and In atoms are the most stable defects with binding energy in the range of 3.31-3.33 eV. Defect levels acting as donors were induced in the band gap of the host Ge. Additionally, while shallow defect levels close to the conduction band were strongly induced by the interactions of Sb, P, and As interstitials with dopant (In), the double donors resulting from the interactions between P, As, N, and the host atoms including In atom are deep, leading to recombination centers. The results of this study could be applicable in device characterization, where the interaction of In atom and n-type impurities in Ge is essential. This report is important as it provides a theoretical understanding of the formation and control of donor-related defect-complexes in Ge.

The potential of surface plasmon resonance (SPR) biosensors to detect different biomolecules quickly and sensitively has attracted much attention. In this work, we use a numerical method to identify malaria phases by exploring the sensitivity adjustment of SPR sensors based on bimetallic, MXene and graphene layers. Effective treatment for malaria, a potentially fatal disease brought on by plasmodium parasites, depends on early identification. Innovative biosensing technologies are necessary since traditional diagnostic procedures frequently lack sensitivity and speed. The transfer matrix method is employed here in this study for reflectance calculation. The COMSOL software finds the electric field distribution across the various layers interfaces. The maximum sensitivity of 301.1667°/RIU has been attained for the proposed work.