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Abstract
Porous carbons appear as promising materials for hydrogen storage. The storage capacity depends on the characteristics of the pores. We have performed computer simulations of the hydrogen storage in model pores of different sizes and shapes, using a quantum-thermodynamic model. Carbide-derived carbons, or CDCs, form an interesting class of porous carbons. CDCs are produced by chemically removing the metal atoms from metallic carbides. These porous materials exhibit a high specific surface area and tunable pore sizes. However, the structure of the pores remains largely unknown. We have performed computer simulations to investigate the atomistic structure of these materials and the size distribution of the pores.
Doping the porous carbons with metallic nanoparticles might enhance the storage of hydrogen. We consider doping with alkali metal atoms and with palladium nanoparticles. In the second case, the mechanism is not well known. To gain insight we have studied the adsorption and dissociation of molecular hydrogen on the adsorbed clusters.
Resume
Julio A. Alonso got his PhD in Physics in 1975. He worked as a postdoctoral fellow at the University of Pennsylvania, Philadelphia, between 1975 and 1980. Then he joined the University of Valladolid in Spain, where he became Full Professor in 1989. He has spent sabbatical years as an invited Professor at the University of East Anglia (UK), 1989-1990, and the Donostia International Physics Center (San Sebastian, Spain), 2002-2003 and 2008-2009. He has published two books (Electrons in Metals and Alloys, Academic Press, 1989; Structure and Properties of Atomic Nanoclusters, Imperial College Press, 2005, 2nd edition 2011), more than 20 chapters in books and about 350 papers in scientific journals. He was awarded the Spanish Physical Society Research Prize in 2005. He was Head of the Department of Theoretical Physics, University of Valladolid, from 1992 to 1998. He served as President of the Mathematics and Physics Advisory Committee of the Spanish Agency for the Evaluation of Research Activities. He has done extensive research on the electronic structure and thermodynamics of crystalline and glassy metallic alloys, and on the electronic structure and properties of atomic clusters, nanoparticles and carbon nanotubes. In recent years he has worked on the computer simulation of the storage of hydrogen in nanoporous materials. He has an H index = 39.
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