Numerical calculation of localized (Wannier) functions from ab-initio Hartree-Fock wave functions

The Fourier transformation necessary to obtain localized (Wannier) functions from delocalized ab-initio crystal Hartree-Fock (Bloch) functions is carried out for the one-dimensional models of solids. Combinations of Wannier functions from different bands lead to even more localized functions in close analogy to localization in molecules.     

Sonochemical Synthesis of Gold Nanoparticles by Using High Intensity Focused Ultrasound

The sonochemical synthesis of gold nanoparticles (GNPs) with different shapes and size distributions by using high‐intensity focused ultrasound (HIFU) operating at 463 kHz is reported. GNP formation proceeds through the reduction of Au³⁺ to Au⁰ by radicals generated by acoustic cavitation. TEM images reveal that GNPs show irregular shapes at 30 W, are primarily icosahedral at 50 W and form a significant amount of nanorods at 70 W. The size of GNPs decreases with increasing acoustic power with a narrower size distribution. Sonochemiluminescence images help in the understanding of the effect of HIFU in controlling the size and shapes of GNPs. The number of radicals that form and the mechanical forces that are generated control the shape and size of the GNPs. UV/Vis spectra and TEM images are used to propose a possible mechanism for the observed effects. The results presented demonstrate, for the first time, that the HIFU system can be used to synthesise size‐ and shape‐controlled metal nanoparticles.     

Recovery error bounds on compressed sensing of noisy signals

Compressed sensing is an emerging technique in the field of digital signal acquisition. It promises almost exact recovery of high‐dimensional signals from a very small set of measurements. However, this technique is challenged by the task of recovering signals immersed in noise. In this paper, we derive upper and lower bounds on mean squared recovery error of noisy signals. These bounds are valid for any number of acquired measurements and at any signal‐to‐noise ratio. This work is highly useful for the design of any compressed sensing‐based real world application by quantifying recovery error entailed with realistic digital signal acquisition scenarios. Copyright © 2013 John Wiley & Sons, Ltd.     

Electrochemical Studies on Effects of Psychostimulants,Opioids and Alcohol Intake Towards Level of Hydrogen Peroxide in the Brain Striatum

Hydrogen peroxide (H₂O₂) was the main types of many peroxides produced in living mammalian cells that consumed oxygen. In the brain, the main source of H₂O₂ was the superoxide dismutase (SOD)‐catalyzed reaction in mitochondria. However, the level of H₂O₂ would be elevated through administration of control drugs and alcohol by dopamine metabolism of monoamine oxidase. In this study, a H₂O₂ microsensor was used to investigate the level of H₂O₂ in the brain striatum after administration of methamphetamine (MAP), morphine (MrP) or ethanol (Eth). The placement of microsensor in the brain was done at coordinates A/P 1.1 from bregma, M/L+2.6 and D/V‐1.5. A working potential of +0.05 V vs. Ag/AgCl was applied. The H₂O₂ concentration was measured direct from the current generated by its catalytic reaction at the electro active surface of the electrode. A significant increase of H₂O₂ level was observed after 7 successive injections of the controlled drugs or alcohol. The initial measurement of H₂O₂ is essential as excess dosage of H₂O₂ during treatment will contribute to the formation of neurotoxin oxygenated radicals. The H₂O₂ was the precursor of O_2? and OH radicals. Thus, this study provided a mean to monitor H₂O₂ level in the brain.     

Current-voltage behavior of AlGaAs/InGaAs pHEMT structures and the effect of optical illumination

Various pseudomorphic High Electron Mobility Transistor (pHEMT) structures of AlGaAs/InGaAs alloys have been observed their current-voltage behavior. The tungsten probes were used for a measurement the structures by ramping the voltage from −5 to 5 V and measure the electrical current. Measurement was carried out at room temperature and also under optical illumination. From the measurement, the electrical current was found to increase as the increase of Al content in the AlGaAs alloys layer in the pHEMT structure. This phenomenon was supported by the decrease of sheet resistance as obtained from Hall effect measurement. Under visible light illumination, the current-voltage behavior of pHEMT structure was observed to vary as the light power density was varied for 0, 25 and 55 μW/cm.     

Physical, structural, and luminescence studies of Nd3+ doped MgO-ZnO borate glass

A series of borate glass of the system xNd₂O₃-5MgO-20ZnO-(75 ? x)B₂O₃, where x = 0.5, 1.0,1.5, 2.0, and 2.5 was successfully fabricated using melt quench method. The properties of the glass were characterized using X-ray diffraction (XRD), Fourier transform infrared (FTIR), absorption and luminescence spectra. The upconversion properties of Nd³⁺ doped borate glass were observed by using 574 nm excitation wavelength corresponding to ⁴ I _15/2 → ² H _114/2 transition. The emission bands centered at 460, 500 and 620 nm which corresponding to the Nd³⁺ transitions, ⁴ F _7/2 → ⁴ I _15/2, ² H _11/2 → ⁴ I _15/2, and ⁴ F _9/2 → ⁴ I _15/2 respectively were observed at room temperature. The presence of Nd³⁺ in borate based glass could intensify the upconversion luminescence spectra as it can potentially be used as host materials for upconversion lasers.     

Biodegradation of Tetracycline Under Various Conditions and Effects on Microbial Community

Five hundred tons of antibiotics are consumed yearly in the world. In this study, the biodegradation characteristics of tetracycline (TET) under nitrate-reducing, sulfate-reducing, and methanogenic conditions were determined by batch tests. Also, effects of TET on mixed microbial cultures were revealed by microbiological analysis. In this scope, gas generation and composition, dissolved organic carbon, and electron acceptor concentrations were monitored during 120 days. Additionally, changes on quantities of specific microbial groups were determined by Q-PCR. TET showed non-biodegradable behavior under nitrate- and sulfate-reducing conditions, whereas slightly biodegradable behavior under methanogenic conditions approximately 46 % degradation. The effects of TET on the abundance of mixed culture varied according to taxonomic units. Sulfate-reducing bacteria were inhibited by TET, while archaeal, bacterial, and methanogenic populations were not affected significantly.     

Ab initio calculation of vibrational frequencies of GexPxS1−2x glass

The vibrational frequencies of GeS₄, GeP₄, Ge₂S₆, GeP₃, Ge₃P, Ge₂P₂, P₂S₂, P₃S, P₄S₃, α-P₄S₄, β-P₄S₄, α-P₄S₅, β-P₄S₅, P₄S₇, P₄S₉ and P₄S₁₀ are theoretically computed from the first principles. The Raman frequencies of Ge_xP_xS_1−2x glass are obtained for x varying from 0.05 to 0.019. The computed fundamental frequencies of clusters are compared with those experimentally found. In this way, we are able to identify the vibrating clusters in the real glass. The clusters identified in the real glass are found to be Ge₂P₂, P₄S₃, α-P₄S₄, β-P₄S₄, β-P₄S₅, P₄S₇, P₄S₉, β-P₄S₅, Ge₂S₆, Ge₃P.     

Ion dynamics in methylcellulose–LiBOB solid polymer electrolytes

A polymer electrolyte system comprising methylcellulose (MC) as the host polymer and lithium bis(oxalato) borate (LiBOB) as the lithium ion source has been prepared via the solution cast technique. The electrolyte with the highest conductivity of 2.79 μS cm^?1 has a composition of 75 wt% MC–25 wt% LiBOB. The mobile ion concentration (n) in this sample was estimated to be 5.70?×?10²⁰ cm^?3. A good correlation between ionic conductivity, dielectric constant, and free ion concentration has been observed. The ratio of mobile ion number density (n) at a particular temperature to the concentration n ₀ of free ions at T?=?∞ (n/n ₀) and the power law exponents (s) exhibit opposite trends when varied with salt concentration.     

Review of Building Integrated Photovoltaics System for Electric Vehicle Charging

The transition to sustainable transportation has fueled the need for innovative electric vehicle (EV) charging solutions. Building Integrated Photovoltaics (BIPV) systems have emerged as a promising technology that combines renewable energy generation with the infra-structure of buildings. This paper comprehensively reviews the BIPV system for EV charging, focusing on its technology, application, and performance. The review identifies the gaps in the existing literature, emphasizing the need for a thorough examination of BIPV systems in the context of EV charging. A detailed review of BIPV technology and its application in EV charging is presented, covering aspects such as the generation of solar cell technology, BIPV system installation, design options and influencing factors. Furthermore, the review examines the performance of BIPV systems for EV charging, focusing on energy, economic, and environmental parameters and their comparison with previous studies. Additionally, the paper explores current trends in energy management for BIPV and EV charging, highlighting the need for effective integration and recommending strategies to optimize energy utilization. Combining BIPV with EV charging provides a promising approach to power EV chargers, enhances building energy efficiency, optimizes the building space, reduces energy losses, and decreases grid dependence. Utilizing BIPV-generated electricity for EV charging provides electricity and fuel savings, offers financial incentives, and increases the market value of the building infrastructure. It significantly lowers greenhouse gas emissions associated with grid and vehicle emissions. It creates a closed-loop circular economic system where energy is produced, consumed, and stored within the building. The paper underscores the importance of effective integration between Building Integrated Photovoltaics (BIPV) and Electric Vehicle (EV) charging, emphasizing the necessity of innovative grid technologies, energy storage solutions, and demand-response energy management strategies to overcome diverse challenges. Overall, the study contributes to the knowledge of BIPV systems for EV charging by presenting practical energy management, effectiveness and sustainability implications. It serves as a valuable resource for researchers, practitioners, and policymakers working towards sustainable transportation and energy systems.