Journal of Optoelectronical Nanostructures
Volume:7 Issue: 3, Summer 2022

Herein, the density functional theory (DFT) approach wasused to investigate the behavior of oxygen during theadsorption over the magnesium nanoclusters Mg16M(M=Be, Mg, and, Ca). The electronic properties of Mg16Mwere remarkably Under the influence of absorption of thefirst and second O2 molecules. NBO analysis showedcharge transfer from nanoclusters to adsorbed O2molecules. According to Eads and Δ𝐻 a thermodynamicallydesirable chemisorption process was foretoken. Thenegative values of Δ𝐺 are a witness to spontaneousadsorption. The DFT calculations show that the adsorptionof the second oxygen is energetic more desirable than thefirst molecule. The Mg16Ca—O2 complex with theminimum bond length and maximum Eads showed thestrongest uni and di-molecular O2 adsorption.

Quantum-dot Cellular Automata (QCA) is anemerging technology and one of the suitable alternativesto conventional CMOS technology. Designing efficientbasic logic circuits like decoders is an open research topicin this emerging technology. As reliability is also the mostimportant issue in QCA technology circuit design due toits susceptibility to faults occurring during chemicalfabrication, we design an efficient coplanar robust 2-to-4decoder, employing a novel fault-tolerant three-inputmajority gate. Our proposed majority gate is designedwith 11 simple QCA cells. The area and energyconsumptions of the proposed majority gate is 0.01 μm2and 1.49×2-2 MeV, respectively. The presented majoritygate has also 71% and 100% tolerance against single-cellomission and extra-cell deposition defects, respectively,and it has a proper tolerance against cell displacement andmisalignment defects. The novel robust 2-to-4 decoder isalso designed using the proposed majority gate. Thesimulation results show that the presented decoder is moreefficient in comparison to previous designs.

Adsorption of gaseous molecules on outersurface of nanostructures is one of the interestingproperties. In this respect, Al12N12 inorganic system ischosen as nanocage, while oxygen and carbon dioxide areconsidered to interact with the nanocage. Two modes havebeen considered in this study. Steric and relaxationdeformation densities are employed to find the nature ofchemical interaction between these two fragments andresults confirm strong steric interaction in theintermolecular area, while the role of relaxation interactionis not negligible. All deformation density calculations fortwo models of configuration have been investigated usingthe density functional theory (DFT) calculations by M06-2X methods and 6-311++G** basis set. Interaction energyfor two models of molecules has been examined andcompared utilizing the method of computation. To getinsight into steric and attractive parts of the intermolecularinteraction, deformation density is decomposed to twointrinsic components: kinetic energy pressure andrelaxation. Competition between these two componentshas been performed in this research.

Given the significance of carefully analyzingthe critical range for processing parameters in asputtering system prior to experiments, as well as theireffect on the quality of the deposited thin film, thiscrucial subject has been simulated and researched in thisresearch. Argon glow discharge conditions were obtainedby altering essential processing factors such as electrodespacing, working pressure, and DC voltage delivered tothe electrodes. The effect of changing these processingparameters on the potential difference and electric fieldprofiles, ion- and electron-density, ion- and electronkineticenergy, and cross-section of fundamentalprocesses has been investigated to study the depositionrate and microstructural characteristics of thin films.Furthermore, the cross-section of fundamental ions-andelectroncollision processes like ionization, elasticscattering, excitation, and charge exchange has beeninvestigated.

Since 1993, Devices based on CNTs have applicationsranging from nanoelectronics to optoelectronics. Thechallenging issue in designing these devices is that thenonequilibrium Green's function (NEGF) method has tobe employed to solve the Schrödinger and Poissonequations, which is complex and time consuming. In thepresent study, a novel smart and optimal algorithm ispresented for fast and accurate modeling of CNT fieldeffecttransistors (CNTFETs) based on an artificial neuralnetwork. A new and efficient way is presented forincrementally constructing radial basis function (RBF)networks with optimized neuron radii to obtain theestimator network. An incremental extreme learningmachine (I-ELM) algorithm is used to train the RBFnetwork. To ensure the optimal radii for incrementalneurons, this algorithm utilizes a modified version of anoptimization algorithm known as the Nelder-Meadsimplex algorithm. Results confirm that the proposedapproach reduces the network size for faster errorconvergence while preserving the estimation accuracy.

In this research, iron oxide nanostructureshave been successfully synthesized using the coprecipitationmethod. The results of structural studiesusing X-ray diffraction (XRD) analysis showed that thesynthesized samples have a simple cubic structure. Thelattice parameter of these synthesized nanostructures wascalculated with the aid of the Rietveld refinementmethod. It was found that the lattice parameter is about8.388 Å. Electron microscopy images (SEM) showed thatthe samples have sheet likes shapes. From SEM images,it was found that the synthesized nanosheets' thicknesswas about 33 nm. The optical properties of the sampleswere also studied using ultraviolet-visible spectroscopy.These studies showed that the samples have a broadabsorption peak of about 350 nm. The samples wereirradiated with a beam with a wavelength of 205 nm tomeasure the emission spectra. There were severalemission peaks observed in the emission spectra ofsamples. The highest emission peaks were observed at482nm and 527 nm, respectively.