Energy has always been the driving force in the technological and economic development of societies. The consumption of a significant amount of energy is required to provide basic living conditions of developed countries (heating, transportation, lighting, etc.). Today's energy supply has a considerable impact on the environment, since it is fuelled by the burning of fossil fuels. In addition to this, the fossil fuel reserves are decreasing while the demand for energy is rapidly rising. Climate change, the depletion and geographical segregation of fossil fuel resources, health related issues as well as energy poverty constitute the driving forces towards the pursuit of alternative energy sources. In addition, countries with no access to oil reserves are being dependent from other countries for their energy supply, with a strong impact on politics and financial issues. But apart from occasional financial recessions, the long-term need for increasing amounts of energy as countries develop will become a major rate limiting step in the growth of the world economy [1]. The last years there is an on-going research on alternative fuels in order to overcome the fossil energy dependence and to provide a sustainable growth of economies and societies.In view of the above, countries that release the largest amounts of greenhouse gases to the atmosphere compared to the energy production are expected to minimise CO 2 emission and at the same time improve the share of ''clean'' energy in total energy consumption. The renewable, non-conventional energy sources, such as solar and wind energy, will remain available for infinite period. But due to the inherent nature of renewable energy resources being intermittent, there is a need to store any surplus electrical energy produced in order to be used during high energy
A series of hydrogenated cubic C15 and hexagonal C14 ZrCr 2 Laves phases were studied by means of semiempirical extended Hu ¨ckel tight-binding, ab initio density functional theory methods and maximally localized Wannier functions, with a goal to find the most energetically favorable positions of interstitial H atoms in the host unit cells. We consider situations with one or two H atoms per primitive cell. Crystalorbital overlap population studies, performed for the C15 structure, show repulsion between two hydrogen atoms in close proximity. This is in accord with the ab initio calculations, performed for the hydrogenated C14 and C15 structures, which clearly favor two separated hydrogen atoms instead of the formation of moleculelike pairs in five-coordinated trigonal-bipyramidal environments.
Hydrogen as fuel has been a promising technology toward climate change mitigation efforts. To this end, in this paper we analyze the contribution of hydrogen technology to our future environmental goals. It is assumed that hydrogen is being produced in higher efficiency across time and this is simulated on Global Change Assessment Model (GCAM). The environmental restrictions applied are the expected emissions representative concentration pathways (RCP) 2.6, 4.5, and 6.0. Our results have shown increasing hydrogen production as the environmental constraints become stricter and hydrogen more efficient in being produced. This increase has been quantified and provided on open access as Supporting Information to this manuscript.
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