External authors:

• Arturo Morande ( Pontificia Universidad Catolica de Chile )
• Cesar Pazo ( Pontificia Universidad Catolica de Chile , ANID Millennium Sci Initiat Program )
• Ana Belen Dongil ( CSIC - Instituto de Catalisis y Petroleoquimica (ICP) )
• Ximena Zarate ( Universidad Autonoma de Chile , ANID Millennium Sci Initiat Program )
• Mario Saavedra-Torres ( ANID Millennium Sci Initiat Program )
• E. Schott ( Pontificia Universidad Catolica de Chile , ANID Millennium Sci Initiat Program )
• Ana Belen Dongil ( CSIC - Instituto de Catalisis y Petroleoquimica (ICP) )

Abstract:

The present study evaluates the effect of heteroatom doping (N and B) and thermal treatment modification of activated carbon, in different sequences over hydrogen storage capacity. All the materials were characterized by N2-physisorption, XRD, TPD, and XPS. H2 adsorption was measured at-196 degrees C and correlated with physico-chemical properties, while a density-functional theory model was employed to analyze the hydrogen adsorp-tion. Results have shown that there is an effect of the modification order on the storage capacity, which was related to increments of the specific surface area or the nature of the functional groups. An optimum nitrogen doping temperature was detected at 500 degrees C and was associated with the presence of pyridone groups. This sample had the highest hydrogen capacity ca. 2.34 % at 0.93 bar. Such value was extrapolated to 7.86 wt% at 30 bar using the Dubinin-Astakhov adsorption model, making it a promising material for hydrogen storage.