메뉴 건너뛰기




Volumn 83, Issue 14, 2011, Pages

First-principles prediction of phase stability and crystal structures in Li-Zn and Na-Zn mixed-metal borohydrides

Author keywords

[No Author keywords available]

Indexed keywords


EID: 79961061794     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.83.144111     Document Type: Article
Times cited : (18)

References (42)
  • 4
    • 75149128069 scopus 로고    scopus 로고
    • 1932-7447 10.1021/jp909120p
    • K.C. Kim and D. S. Sholl, J. Phys. Chem. C 1932-7447 10.1021/jp909120p 114, 678 (2010).
    • (2010) J. Phys. Chem. C , vol.114 , pp. 678
    • Kim, K.C.1    Sholl, D.S.2
  • 11
  • 14
    • 43049121387 scopus 로고    scopus 로고
    • Discovery of novel hydrogen storage materials: An atomic scale computational approach
    • DOI 10.1088/0953-8984/20/6/064228, PII S0953898408590047
    • C. Wolverton, D. J. Siegel, A. R. Akbarzadeh, and V. Ozolins, J. Phys. Condens. Matter 0953-8984 10.1088/0953-8984/20/6/064228 20, 064228 (2008). (Pubitemid 351622663)
    • (2008) Journal of Physics Condensed Matter , vol.20 , Issue.6 , pp. 064228
    • Wolverton, C.1    Siegel, D.J.2    Akbarzadeh, A.R.3    Ozoli, V.4
  • 15
  • 17
    • 33847377048 scopus 로고    scopus 로고
    • Predicting reaction equilibria for destabilized metal hydride decomposition reactions for reversible hydrogen storage
    • DOI 10.1021/jp065117+
    • S. V. Alapati, J. K. Johnson, and D. S. Sholl, J. Phys. Chem. C 1932-7447 10.1021/jp065117+ 111, 1584 (2007). (Pubitemid 46347001)
    • (2007) Journal of Physical Chemistry C , vol.111 , Issue.4 , pp. 1584-1591
    • Alapati, S.V.1    Johnson, J.K.2    Sholl, D.S.3
  • 18
    • 41549142639 scopus 로고    scopus 로고
    • 1098-0121 10.1103/PhysRevB.77.104115
    • E. H. Majzoub and V. Ozolins, Phys. Rev. B 1098-0121 10.1103/PhysRevB.77. 104115 77, 104115 (2008).
    • (2008) Phys. Rev. B , vol.77 , pp. 104115
    • Majzoub, E.H.1    Ozolins, V.2
  • 19
    • 41549168663 scopus 로고    scopus 로고
    • First-principles prediction of a ground state crystal structure of magnesium borohydride
    • DOI 10.1103/PhysRevLett.100.135501
    • V. Ozolins, E. H. Majzoub, and C. Wolverton, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.100.135501 100, 135501 (2008). (Pubitemid 351474039)
    • (2008) Physical Review Letters , vol.100 , Issue.13 , pp. 135501
    • Ozolins, V.1    Majzoub, E.H.2    Wolverton, C.3
  • 20
    • 12844286241 scopus 로고
    • 1098-0121 10.1103/PhysRevB.47.558
    • G. Kreese and J. Hafner, Phys. Rev. B 1098-0121 10.1103/PhysRevB.47.558 47, 558 (1993).
    • (1993) Phys. Rev. B , vol.47 , pp. 558
    • Kreese, G.1    Hafner, J.2
  • 21
    • 0011236321 scopus 로고    scopus 로고
    • 1098-0121 10.1103/PhysRevB.59.1758
    • G. Kreese and D. Joubert, Phys. Rev. B 1098-0121 10.1103/PhysRevB.59.1758 59, 1758 (1999).
    • (1999) Phys. Rev. B , vol.59 , pp. 1758
    • Kreese, G.1    Joubert, D.2
  • 22
    • 33645898818 scopus 로고
    • 1098-0121 10.1103/PhysRevB.45.13244
    • J. P. Perdew and Y. Wang, Phys. Rev. B 1098-0121 10.1103/PhysRevB.45. 13244 45, 13244 (1992).
    • (1992) Phys. Rev. B , vol.45 , pp. 13244
    • Perdew, J.P.1    Wang, Y.2
  • 23
    • 25744460922 scopus 로고
    • 1098-0121 10.1103/PhysRevB.50.17953
    • P. E. Blochl, Phys. Rev. B 1098-0121 10.1103/PhysRevB.50.17953 50, 17953 (1994).
    • (1994) Phys. Rev. B , vol.50 , pp. 17953
    • Blochl, P.E.1
  • 28
    • 0842326591 scopus 로고    scopus 로고
    • 1662-9752 10.4028/www.scientific.net/MSF.443-444.287
    • P. Fischer and Z. Zuttel, Mater. Sci. Forum 1662-9752 10.4028/www.scientific.net/MSF.443-444.287 443-444, 287 (2004).
    • (2004) Mater. Sci. Forum , vol.443-444 , pp. 287
    • Fischer, P.1    Zuttel, Z.2
  • 29
    • 85152996200 scopus 로고    scopus 로고
    • European Journal of Inorganic Chemistry, 3127
    • Y. Filinchuk and H. Hagemann, European Journal of Inorganic Chemistry, 3127 (2008).
    • (2008)
    • Filinchuk, Y.1    Hagemann, H.2
  • 35
    • 15744376937 scopus 로고    scopus 로고
    • Crystal structure of Ca (Al H4) 2 predicted from density-functional band-structure calculations
    • DOI 10.1103/PhysRevB.71.144111, 144111
    • O. M. Lovvik, Phys. Rev. B 1098-0121 10.1103/PhysRevB.71.144111 71, 144111 (2005). (Pubitemid 41760326)
    • (2005) Physical Review B - Condensed Matter and Materials Physics , vol.71 , Issue.14 , pp. 1-5
    • Lovvik, O.M.1
  • 40
    • 79961038975 scopus 로고    scopus 로고
    • 2.
    • 2.
  • 41
    • 79961048938 scopus 로고    scopus 로고
    • See supplemental material at [http://link.aps.org/supplemental/10.1103/ PhysRevB.83.144111] for details of the crystal structure


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.