INTRODUCTION: This paper describes selected findings from an interdisciplinary research project funded by the UK Department for International Development (January 2000 to April 2003) which was carried out in Delhi and Varanasi by Imperial College, London in partnership with Srishti; Delhi University; Banaras Hindu University, Varanasi; Development Tracks, New Delhi and the Indian Agricultural R...

............................................................................. i Populärvetenskaplig sammanfattning ........................................ iii Preface ............................................................................... v Acknowledgements ............................................................... xi

We propose new isoreticular metal-organic framework (IRMOF) materials to increase the hydrogen storage capacity at room temperature. Based on the potential-energy surface of hydrogen molecules on IRMOF linkers and the interaction energy between hydrogen molecules, we estimate the saturation value of hydrogen sorption capacity at room temperature. We discuss design criteria and propose new IRMOF...

Metals, such as copper and silver, can be extremely toxic to bacteria at exceptionally low concentrations. Because of this biocidal activity, metals have been widely used as antimicrobial agents in a multitude of applications related with agriculture, healthcare, and the industry in general. Unlike other antimicrobial agents, metals are stable under conditions currently found in the industry al...

To include electron-electron correlation effects in the nanosystem we are proposing a combined density-functional-theorydynamical-mean-field-theory (DFT + DMFT) approach, which we have recently shown to be suitable for including correlation effects in small (2-5 atoms) Fe and FePt clusters [1]. This method has several advantages as compared to the widely used DFT + U approach, the most importan...

Zinc-based adsorbents currently in use for H2S removal from tail gas in the oil and gas industry have limited regenerability and reduced performance over multiple cycles [1,2]. Spatially well-distributed metal nanoparticles in mesoporous substrates can be effective in achieving better performance over multiple adsorption and regeneration cycles [3,4]. One of the critical aspects of understandin...