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C-60-mediated hydro...
C-60-mediated hydrogen desorption in Li-N-H systems
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- Qian, Zhao (författare)
- Uppsala universitet,KTH,Tillämpad materialfysik,Materialteori
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Li, Sa (författare)
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- Pathak, Biswarup (författare)
- Uppsala universitet,Materialteori
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- Araujo, Carlos Moyses Graca (författare)
- Uppsala universitet,Materialteori
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- Ahuja, Rajeev (författare)
- Uppsala universitet,KTH,Tillämpad materialfysik,Materialteori
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Jena, Puru (författare)
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(creator_code:org_t)
- 2012-11-09
- 2012
- Engelska.
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Ingår i: Nanotechnology. - : IOP Publishing. - 0957-4484 .- 1361-6528. ; 23:48, s. 485406-
- Relaterad länk:
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https://urn.kb.se/re...
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https://doi.org/10.1...
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https://urn.kb.se/re...
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Abstract
Ämnesord
Stäng
- Hydrogen desorption from a LiH + NH3 mixture is very difficult due to the formation of the stable LiNH4 compound. Using cluster models and first-principles theory, we demonstrate that the C-60 molecule can in fact significantly improve the thermodynamics of ammonia-mediated hydrogen desorption from LiH due to the stabilization of the intermediate state, LiNH4. The hydrogen desorption following the path of LiNH4-C-60 -> LiNH3-C-60 + 1/2H(2) is exothermic. Molecular dynamic simulations show that this reaction can take place even at room temperature (300 K). In contrast, the stable LiNH4 compound cannot desorb hydrogen at room temperature in the absence of C-60. The introduction of C-60 also helps to restrain the NH3 gas which is poisonous in proton exchange membrane fuel cell applications.
Ämnesord
- TEKNIK OCH TEKNOLOGIER -- Nanoteknik (hsv//swe)
- ENGINEERING AND TECHNOLOGY -- Nano-technology (hsv//eng)
Nyckelord
- Lithium Amide
- Storage
- Molecules
- Density
- Mechanism
- H-2
- SRA - Energy
- SRA - Energi
- SRA - E-vetenskap (SeRC)
- SRA - E-Science (SeRC)
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
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