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Volumn 47, Issue 12, 2008, Pages 2301-2303

The η6,η1-coordination of beryllium atoms in the graphite analogue BeB2C2

Author keywords

Beryllium; Borides; Density functional calculations; ELNES (energy loss near edge structure analysis); Powder diffractometry

Indexed keywords

BERYLLIUM; BORIDES; DENSITY FUNCTIONAL THEORY; DIFFRACTION; ELECTRON ENERGY LEVELS; ELECTRON ENERGY LOSS SPECTROSCOPY; ENERGY DISSIPATION; GRAPHITE;

EID: 53549119690     PISSN: 14337851     EISSN: None     Source Type: Journal    
DOI: 10.1002/anie.200705023     Document Type: Article
Times cited : (15)

References (25)
  • 2
    • 53549131505 scopus 로고    scopus 로고
    • 5)] at -120°C was first reported by: C.-H. Wong, T.-Y. Lee, K.-J. Chao, S. Lee, Acta Crystallogr. Sect. B 1972, 28, 1662-1665.
    • 5)] at -120°C was first reported by: C.-H. Wong, T.-Y. Lee, K.-J. Chao, S. Lee, Acta Crystallogr. Sect. B 1972, 28, 1662-1665.
  • 4
    • 53549085948 scopus 로고
    • Zh. Prikl. Khim. 1966, 39, 13-20.
    • (1966) Zh. Prikl. Khim , vol.39 , pp. 13-20
  • 12
    • 28344442350 scopus 로고    scopus 로고
    • Angew. Chem. Int. Ed. 2005, 44, 7542-7545.
    • (2005) Angew. Chem. Int. Ed , vol.44 , pp. 7542-7545
  • 16
    • 53549132499 scopus 로고    scopus 로고
    • Dissertation, University of Giessen
    • a) K. Schmitt, Dissertation, University of Giessen, 2000,
    • (2000)
    • Schmitt, K.1
  • 18
    • 53549108289 scopus 로고    scopus 로고
    • 2 = 1.491. Further details on the crystal structure investigations may be obtained from the Fachinformationszentrum Karlsruhe, 76344 Eggenstein-Leopoldshafen, Germany (fax: (+49)7247-808-666; e-mail: crysdata@fiz-karlsruhe.de), on quoting the depository number CSD-418618.
    • 2 = 1.491. Further details on the crystal structure investigations may be obtained from the Fachinformationszentrum Karlsruhe, 76344 Eggenstein-Leopoldshafen, Germany (fax: (+49)7247-808-666; e-mail: crysdata@fiz-karlsruhe.de), on quoting the depository number CSD-418618.
  • 21
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    • and references therein
    • b) O. Kwon, M. L. McKee, J. Phys. Chem. A 2001, 105, 10133-10138, and references therein.
    • (2001) J. Phys. Chem. A , vol.105 , pp. 10133-10138
    • Kwon, O.1    McKee, M.L.2
  • 22
    • 53549110750 scopus 로고    scopus 로고
    • Full optimizations of the atomic positions and cell parameters were carried out using the VASP code[17] with PAW potentials, 18] The WIEN2k code[11] was used for calculations of the energy difference between optimized structures and for the density of states. In all calculations a PBE-generalized gradient approximation was employed for the exchange and correlation energy term.[19
    • [19]
  • 23
    • 53549121671 scopus 로고    scopus 로고
    • G. Kresse, J. Hafner, VASP program, version 4.6, Institut für Materialphysik, Universität Wien, 2000
    • G. Kresse, J. Hafner, VASP program, version 4.6, Institut für Materialphysik, Universität Wien, 2000.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.