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Dynamics of Pyramid...
Dynamics of Pyramidal SiH3- Ions in ASiH(3) (A = K and Rb) Investigated with Quasielastic Neutron Scattering
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- Österberg, Carin, 1987 (författare)
- Chalmers tekniska högskola,Chalmers University of Technology
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- Fahlquist, H. (författare)
- Stockholms universitet,Institutionen för material- och miljökemi (MMK),Stockholm University
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- Häussermann, Ulrich (författare)
- Stockholms universitet,Institutionen för material- och miljökemi (MMK),Stockholm University
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- Brown, C. M. (författare)
- National Institute of Standards and Technology (NIST)
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- Udovic, Terrence J. (författare)
- National Institute of Standards and Technology (NIST)
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- Karlsson, Maths, 1978 (författare)
- Chalmers tekniska högskola,Chalmers University of Technology
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(creator_code:org_t)
- 2016-03-18
- 2016
- Engelska.
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Ingår i: Journal of Physical Chemistry C. - : American Chemical Society (ACS). - 1932-7447 .- 1932-7455. ; 120:12, s. 6369-6376
- Relaterad länk:
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http://dx.doi.org/10...
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https://doi.org/10.1...
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https://research.cha...
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https://urn.kb.se/re...
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Abstract
Ämnesord
Stäng
- The two alkali silanides ASiH(3) (A = K and Rb) were investigated by means of quasielastic neutron scattering, both below and above the order-disorder phase transition occurring at around 275-300 K. Measurements upon heating show that there is a large change in the dynamics on going through the phase transition, whereas measurements upon cooling reveal a strong hysteresis due to undercooling of the disordered phase. The results show that the dynamics is associated with rotational diffusion of SiH3- anions, adequately modeled by H-jumps among 24 different jump locations radially distributed around the Si atom. The average relaxation time between successive jumps is of the order of subpicoseconds and exhibits a weak temperature dependence with a small difference in activation energy between the two materials, 39(1) meV for KSiH3 and 33(1) meV for RbSiH3. The pronounced SiH3- dynamics explains the high entropy observed in the disordered phase resulting in the low entropy variation for hydrogen absorption/desorption and hence the origin of these materials' favorable hydrogen storage properties.
Ämnesord
- NATURVETENSKAP -- Kemi -- Fysikalisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Physical Chemistry (hsv//eng)
- NATURVETENSKAP -- Kemi -- Materialkemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Materials Chemistry (hsv//eng)
- NATURVETENSKAP -- Kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences (hsv//eng)
- TEKNIK OCH TEKNOLOGIER -- Nanoteknik (hsv//swe)
- ENGINEERING AND TECHNOLOGY -- Nano-technology (hsv//eng)
- TEKNIK OCH TEKNOLOGIER -- Materialteknik (hsv//swe)
- ENGINEERING AND TECHNOLOGY -- Materials Engineering (hsv//eng)
Nyckelord
- aluminum hydrides
- silyl
- Chemistry
- Materials Science
- lithium
- Science & Technology – Other Topics
- crystal-structures
- anions
- ksih3
- tetrahydroborate
- potassium silanide
- libh4
- hydrogen-storage materials
- borohydrides mbh4 m
Publikations- och innehållstyp
- art (ämneskategori)
- ref (ämneskategori)
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