Alkali and alkaline-earth metal dodecahydro-closo-dodecaborates: Probing structural variations via neutron vibrational spectroscopy

Journal of Alloys and Compounds

Volumn 509, Issue SUPPL. 2, 2011, Pages

  Verdal, Nina ^a   Zhou, Wei ^a,b   Stavila, Vitalie ^c   Her, Jae Hyuk ^a,b   Yousufuddin, Muhammed ^a,b   Yildirim, Taner ^a,d   Udovic, Terrence J ^a  

^a NATIONAL INSTITUTE OF STANDARDS AND TECHNOLOGY   (United States)

^b UNIVERSITY OF MARYLAND   (United States)

^c SANDIA NATIONAL LABORATORIES   (United States)

^d UNIVERSITY OF PENNSYLVANIA   (United States)

Author keywords

Boron hydride; Density functional theory; Dodecahydro closo dodecaborate; First principles calculations; Neutron vibrational spectroscopy; Phonon density of states

Indexed keywords

BORON HYDRIDES; DENSITY FUNCTIONALS; DODECAHYDRO-CLOSO-DODECABORATE; FIRST-PRINCIPLES CALCULATION; NEUTRON VIBRATIONAL SPECTROSCOPY; PHONON DENSITY OF STATES;

AMORPHOUS MATERIALS; BARIUM; BORON; BORON COMPOUNDS; CESIUM; DENSITY FUNCTIONAL THEORY; HYDROGEN; NEUTRON SPECTROMETERS; NEUTRONS; PHONONS; VIBRATIONAL SPECTROSCOPY;

CRYSTAL SYMMETRY;

EID: 79953797859     PISSN: 09258388     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jallcom.2010.08.024     Document Type: Conference Paper

References (20)

1. S.-J. Hwang J. Phys. Chem. C 112 2008 3164
2. L. Mosegaard J. Alloys Compd. 446-447 2007 301
3. N. Ohba Phys. Rev. B 74 2006 075110
4. S.-I. Orimo Appl. Phys. Lett. 89 2006 021920
5. G.L. Soloveichik Int. J. Hydrogen Energy 34 2009 916
6. H.-W. Li Nanotechnology 20 2009 204013
7. R.J. Newhouse, V. Stavila, S.-J. Hwang, L.E. Klebanoff, and J.Z. Zhang J. Phys. Chem. C 114 2010 5224
8. O. Friedrichs, A. Remhof, S.-J. Hwang, and A. Zuttel Chem. Mater. 22 2010 3265
9. V. Stavila J. Solid State Chem. 183 2010 1133
10. V. Ozolins, E.H. Majzoub, and C. Wolverton JACS 131 2009 230
11. L.A. Leites Spectrochim. Acta 38 A 1982 1047
12. D.G. Allis, and B.S. Hudson J. Phys. Chem. A 110 2006 3744
13. T.J. Udovic Nucl. Instrum. Methods A 588 2008 406
14. P. Giannozzi J. Phys.: Condens. Matter 21 2009 395502
15. G. Kresse, J. Furthmuller, and J. Hafner Europhys. Lett. 32 1995 729
16. J.-H. Her Inorg. Chem. 47 2008 9757
17. J.-H. Her, W. Zhou, V. Stavila, C.M. Brown, and T.J. Udovic J. Phys. Chem. C 113 2009 11187
18. I. Tiritiris, and T. Schleid Z. Anorg. All. Chem. 629 2003 1390
19. I. Tiritiris, T. Schleid, and K. Muller Appl. Magn. Reson. 32 2007 459
20. J.-H. Her, et al., in preparation, 2010.