First-principles computational discovery of materials for hydrogen storage
نویسندگان
چکیده
منابع مشابه
Progress on first-principles-based materials design for hydrogen storage.
This article briefly summarizes the research activities in the field of hydrogen storage in sorbent materials and reports our recent works and future directions for the design of such materials. Distinct features of sorption-based hydrogen storage methods are described compared with metal hydrides and complex chemical hydrides. We classify the studies of hydrogen sorbent materials in terms of t...
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Predicting the arrangement of atoms in materials is of fundamental importance for the discovery and design of new materials. The discovery and development of stronger, cheaper, lighter, etc., functional materials can help to extend the steady progress of technology to which we have become accustomed, and to enable future technologies. It is increasingly being recognised that computational model...
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Practical hydrogen storage for mobile applications requires materials that exhibit high hydrogen densities, low decomposition temperatures, and fast kinetics for absorption and desorption. Unfortunately, no reversible materials are currently known that possess all of these attributes. Here we present an overview of our recent efforts aimed at developing a first-principles computational approach...
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• A submitted manuscript is the author's version of the article upon submission and before peer-review. There can be important differences between the submitted version and the official published version of record. People interested in the research are advised to contact the author for the final version of the publication, or visit the DOI to the publisher's website. • The final author version ...
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Widespread adoption of hydrogen as a vehicular fuel depends critically upon the ability to store hydrogen on-board at high volumetric and gravimetric densities, as well as on the ability to extract/insert it at sufficiently rapid rates. As current storage methods based on physical means--high-pressure gas or (cryogenic) liquefaction--are unlikely to satisfy targets for performance and cost, a g...
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ژورنال
عنوان ژورنال: Journal of Physics: Conference Series
سال: 2009
ISSN: 1742-6596
DOI: 10.1088/1742-6596/180/1/012076