Characterization of High-Performance Organic Dyes for Dye-Sensitized Solar Cell: A DFT/TDDFT Study

Dye-sensitized solar cell (DSSC) is currently a promising technology that makes solar energy efficient and cost-effective to harness. In DSSC, metal free dyes, such indoline-containing D149 and D205, are proved to be potential alternatives for traditional metal organic dyes. In this work, a DFT/TDDFT characterization for D149 and D205 were carried out using different functionals, including B3LYP, MPW1K, CAM-B3LYP and PBE0. Three different conformers for D149 and four different conformers for D205 were identified and calculated in vacuum. The performance of different functionals on calculating the maximum absorbance of the dyes in vacuum and five common solvents (acetonitrile, chloroform, ethanol, methanol, and THF) were examined and compared to determine the suitable computational setting for predicting properties of these two dyes. Furthermore, deprotonated D149 and D205 in solvents were also considered, and the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) were calculated, which elucidates the substitution effect on the rhodanine ring of D149 and D205 dyes on their efficiency. Finally, D149 and D205 molecules were confirmed to be firmly anchored on ZnO surface by periodic DFT calculations. These results would shed light on the design of new highly efficiency metal-free dyes.

Multi-Tenant Virtual GPUs for Optimising Performance of a Financial Risk Application

Graphics Processing Units (GPUs) are becoming popular accelerators in modern High-Performance Computing (HPC) clusters. Installing GPUs on each node of the cluster is not efficient resulting in high costs and power consumption as well as underutilisation of the accelerator. The research reported in this paper is motivated towards the use of few physical GPUs by providing cluster nodes access to remote GPUs on-demand for a financial risk application. We hypothesise that sharing GPUs between several nodes, referred to as multi-tenancy, reduces the execution time and energy consumed by an application. Two data transfer modes between the CPU and the GPUs, namely concurrent and sequential, are explored. The key result from the experiments is that multi-tenancy with few physical GPUs using sequential data transfers lowers the execution time and the energy consumed, thereby improving the overall performance of the application.

Secrecy Performance of Wirelessly Powered Wiretap Channels

This paper considers a wirelessly powered wiretap channel, where an energy constrained multi-antenna information source, powered by a dedicated power beacon, communicates with a legitimate user in the presence of a passive eavesdropper. Based on a simple time-switching protocol where power transfer and information transmission are separated in time, we investigate two popular multi-antenna transmission schemes at the information source, namely maximum ratio transmission (MRT) and transmit antenna selection (TAS). Closed-form expressions are derived for the achievable secrecy outage probability and average secrecy rate for both schemes. In addition, simple approximations are obtained at the high signal-to-noise ratio (SNR) regime. Our results demonstrate that by exploiting the full knowledge of channel state information (CSI), we can achieve a better secrecy performance, e.g., with full CSI of the main channel, the system can achieve substantial secrecy diversity gain. On the other hand, without the CSI of the main channel, no diversity gain can be attained. Moreover, we show that the additional level of randomness induced by wireless power transfer does not affect the secrecy performance in the high SNR regime. Finally, our theoretical claims are validated by the numerical results.

Improved electrochemical performance of Sr2Fe1.5Mo0.4Nb0.1O6-δ -Sm0.2Ce0.8O2-δ composite cathodes by a one-pot method for intermediate temperature solid oxide fuel cells

In this paper, Sr₂Fe_1.5Mo_0.4Nb_0.1O_6-δ (SFMNb)-xSm_0.2Ce_0.8O_2-δ (SDC) (x = 0, 20, 30, 40, 50 wt%) composite cathode materials were synthesized by a one-pot combustion method to improve the electrochemical performance of SFMNb cathode for intermediate temperature solid oxide fuel cells (IT-SOFCs). The fabrication of composite cathodes by adding SDC to SFMNb is conducive to providing extended electrochemical reaction zones for oxygen reduction reactions (ORR). X-ray diffraction (XRD) demonstrates that SFMNb is chemically compatible with SDC electrolytes at temperature up to 1100 °C. Scanning electron microscope (SEM) indicates that the SFMNb-SDC composite cathodes have a porous network nanostructure as well as the single phase SFMNb. The conductivity and thermal expansion coefficient of the composite cathodes decrease with the increased content of SDC, while the electrochemical impedance spectra (EIS) exhibits that SFMNb-40SDC composite cathode has optimal electrochemical performance with low polarization resistance (R_p) on the La_0.9Sr_0.1Ga_0.8Mg_0.2O₃ electrolyte. The R_p of the SFMNb-40SDC composite cathode is about 0.047 Ω cm² at 800 °C in air. A single cell with SFMNb-40SDC cathode also displays favorable discharge performance, whose maximum power density is 1.22 W cm^-2 at 800 °C. All results indicate that SFMNb-40SDC composite material is a promising cathode candidate for IT-SOFCs.

Building performance evaluation of domestic energy efficient retrofits in current and future climates

Approximately half of the houses in Northern Ireland were built before any form of minimum thermal specification or energy efficiency standard was enforced. Furthermore, 44% of households are categorised as being in fuel poverty; spending more than 10% of the household income to heat the house to bring it to an acceptable level of thermal comfort. To bring existing housing stock up to an acceptable standard, retrofitting for improving the energy efficiency is essential and it is also necessary to study the effectiveness of such improvements in future climate scenarios. This paper presents the results from a year-long performance monitoring of two houses that have undergone retrofits to improve energy efficiency. Using wireless sensor technology internal temperature, humidity, external weather, household gas and electricity usage were monitored for a year. Simulations using IES-VE dynamic building modelling software were calibrated using the monitoring data to ASHARE Guideline 14 standards. The energy performance and the internal environment of the houses were then assessed for current and future climate scenarios and the results show that there is a need for a holistic balanced strategy for retrofitting.

Impact of primary networks on the performance of energy harvesting cognitive radio networks

In this paper, we investigate the effect of of the primary network on the secondary network when harvesting energy in cognitive radio in the presence of multiple power beacons and multiple secondary transmitters. In particular, the influence of the primary transmitter's transmit power on the energy harvesting secondary network is examined by studying two scenarios of primary transmitter's location, i.e., the primary transmitter's location is near to the secondary network and the primary transmitter's location is far from the secondary network. In the scenario where the primary transmitter locates near to the secondary network, although secondary transmitter can be benefit from the harvested energy from the primary transmitter, the interference caused by the primary transmitter suppresses the secondary network performance. Meanwhile, in both scenarios, despite the fact that the transmit power of the secondary transmitter can be improved by the support of powerful power beacons, the peak interference constraint at the primary receiver limits this advantage. In addition, the deployment of multiple power beacons and multiple secondary transmitters can improve the performance of the secondary network. The analytical expressions of the outage probability of the secondary network in the two scenarios are also provided and verified by numerical simulations.