Engineering of metal oxide interfaces for renewable energy applications

Diminishing non-renewable energy resources and planet-wide de-pollution on our planet are among the major problems which mankind faces into the future. To solve these problems, renewable energy sources such as readily available and inexhaustible sunlight will have to be used. There are however no readily available photocatalysts that are photocatalytically active under visible light; it is well established that the band gap of the prototypical photocatalyst, titanium dioxide, is the UV region with the consequence that only 4% of sun light is utilized. For this reason, this PhD project focused on developing new materials, based on titanium dioxide, which can be used in visible light activated photocatalytic hydrogen production and destruction of pollutant molecules. The main goal of this project is to use simulations based on first principles to engineer and understand rationally, materials based on modifying TiO2 that will have the following properties: (1) a suitable band gap in order to increase the efficiency of visible light absorption, with a gap around 2 – 2.5 eV considered optimum. (2). The second key aspect in the photocatalytic process is electron and hole separation after photoexcitation, which enable oxidation/reduction reactions necessary to i.e. decompose pollutants. (3) Enhanced activity over unmodified TiO2. In this thesis I present results on new materials based on modifying TiO2 with supported metal oxide nanoclusters, from two classes, namely: transition metal oxides (Ti, Ni, Cu) and p-block metal oxides (Sn, Pb, Bi). We find that the deposited metal oxide nanoclusters are stable at rutile and anatase TiO2 surfaces and present an analysis of changes to the band gap of TiO2, identifying those modifiers that can change the band gap to the desirable range and the origin of this. A successful collaboration with experimental researchers in Japan confirms many of the simulation results where the origin of improved visible light photocatalytic activity of oxide nanocluster-modified TiO2 is now well understood. The work presented in this thesis, creates a road map for the design of materials with desired photocatalytic properties and contributes to better understanding these properties which are of great application in renewable energy utilization.

Uncertainty in wind energy forecasting

Wind energy is the energy source that contributes most to the renewable energy mix of European countries. While there are good wind resources throughout Europe, the intermittency of the wind represents a major problem for the deployment of wind energy into the electricity networks. To ensure grid security a Transmission System Operator needs today for each kilowatt of wind energy either an equal amount of spinning reserve or a forecasting system that can predict the amount of energy that will be produced from wind over a period of 1 to 48 hours. In the range from 5m/s to 15m/s a wind turbine’s production increases with a power of three. For this reason, a Transmission System Operator requires an accuracy for wind speed forecasts of 1m/s in this wind speed range. Forecasting wind energy with a numerical weather prediction model in this context builds the background of this work. The author’s goal was to present a pragmatic solution to this specific problem in the ”real world”. This work therefore has to be seen in a technical context and hence does not provide nor intends to provide a general overview of the benefits and drawbacks of wind energy as a renewable energy source. In the first part of this work the accuracy requirements of the energy sector for wind speed predictions from numerical weather prediction models are described and analysed. A unique set of numerical experiments has been carried out in collaboration with the Danish Meteorological Institute to investigate the forecast quality of an operational numerical weather prediction model for this purpose. The results of this investigation revealed that the accuracy requirements for wind speed and wind power forecasts from today’s numerical weather prediction models can only be met at certain times. This means that the uncertainty of the forecast quality becomes a parameter that is as important as the wind speed and wind power itself. To quantify the uncertainty of a forecast valid for tomorrow requires an ensemble of forecasts. In the second part of this work such an ensemble of forecasts was designed and verified for its ability to quantify the forecast error. This was accomplished by correlating the measured error and the forecasted uncertainty on area integrated wind speed and wind power in Denmark and Ireland. A correlation of 93% was achieved in these areas. This method cannot solve the accuracy requirements of the energy sector. By knowing the uncertainty of the forecasts, the focus can however be put on the accuracy requirements at times when it is possible to accurately predict the weather. Thus, this result presents a major step forward in making wind energy a compatible energy source in the future.

Integrating mobile and cloud resources management using the cloud personal assistant

The mobile cloud computing model promises to address the resource limitations of mobile devices, but effectively implementing this model is difficult. Previous work on mobile cloud computing has required the user to have a continuous, high-quality connection to the cloud infrastructure. This is undesirable and possibly infeasible, as the energy required on the mobile device to maintain a connection, and transfer sizeable amounts of data is large; the bandwidth tends to be quite variable, and low on cellular networks. The cloud deployment itself needs to efficiently allocate scalable resources to the user as well. In this paper, we formulate the best practices for efficiently managing the resources required for the mobile cloud model, namely energy, bandwidth and cloud computing resources. These practices can be realised with our mobile cloud middleware project, featuring the Cloud Personal Assistant (CPA). We compare this with the other approaches in the area, to highlight the importance of minimising the usage of these resources, and therefore ensure successful adoption of the model by end users. Based on results from experiments performed with mobile devices, we develop a no-overhead decision model for task and data offloading to the CPA of a user, which provides efficient management of mobile cloud resources.