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Volumn 28, Issue 9, 2003, Pages 995-1004

The electronic structure and bonding of a H-H pair in the vicinity of a BCC Fe bulk vacancy

Author keywords

ASED MO; Computer simulation; Embrittlement; H Fe; Vacancy

Indexed keywords

COMPUTER SIMULATION; ELECTRON ENERGY LEVELS; ELECTRONIC STRUCTURE; HYDROGEN BONDS;

EID: 0038219692     PISSN: 03603199     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0360-3199(02)00168-4     Document Type: Article
Times cited : (17)

References (16)
  • 5
    • 0030147965 scopus 로고    scopus 로고
    • The interaction of hydrogen with a Fe vacancy. A molecular orbital simulation
    • Irigoyen B., Ferullo R., Castellani N., Juan A. The interaction of hydrogen with a Fe vacancy. A molecular orbital simulation. J Phys D. 29:1996;1306-1309.
    • (1996) J Phys D , vol.29 , pp. 1306-1309
    • Irigoyen, B.1    Ferullo, R.2    Castellani, N.3    Juan, A.4
  • 6
    • 0032142684 scopus 로고    scopus 로고
    • A computational simulation for H-dislocated BCC Fe interaction
    • Juan A Pistonesi C. A computational simulation for H-dislocated BCC Fe interaction. Mater Chem Phys. 55:1998;61-67.
    • (1998) Mater Chem Phys , vol.55 , pp. 61-67
    • Juan, A.1    Pistonesi, C.2
  • 7
    • 0014718008 scopus 로고
    • The diffusion and trapping of hydrogen in steal
    • Oriani R.A. The diffusion and trapping of hydrogen in steal. Acta Metall. 18:1970;147-157.
    • (1970) Acta Metall , vol.18 , pp. 147-157
    • Oriani, R.A.1
  • 8
    • 0000689394 scopus 로고
    • Heats of solution and lattice-expansion and trapping energies of hydrogen in transition metals
    • Griessen R. Heats of solution and lattice-expansion and trapping energies of hydrogen in transition metals. Phys Rev B. 38:1988;3690-3698.
    • (1988) Phys Rev B , vol.38 , pp. 3690-3698
    • Griessen, R.1
  • 9
    • 0030241884 scopus 로고    scopus 로고
    • Electronic bonding characteristics of hydrogen in BCC iron: Part I. Interstitials
    • Itsumi Y., Ellis D.E. Electronic bonding characteristics of hydrogen in BCC iron: part I. Interstitials. J Mater Res. 11:1996;2206-2213.
    • (1996) J Mater Res , vol.11 , pp. 2206-2213
    • Itsumi, Y.1    Ellis, D.E.2
  • 10
    • 0032492333 scopus 로고    scopus 로고
    • A computational study of H-Fe vacancy interaction
    • Pistonesi C., Garcia A.J., Brizuela G., Juan A. A computational study of H-Fe vacancy interaction. J Phys D. 31:1998;588-594.
    • (1998) J Phys D , vol.31 , pp. 588-594
    • Pistonesi, C.1    Garcia, A.J.2    Brizuela, G.3    Juan, A.4
  • 11
    • 0033521786 scopus 로고    scopus 로고
    • Hydrogen on the Fe(1 1 0) surface and near bulk Fe vacancies: A comparative bonding study
    • Juan A., Hoffmann R. Hydrogen on the. Fe(1 1 0) surface and near bulk Fe vacancies a comparative bonding study Surf Sci. 421:1999;1-6.
    • (1999) Surf Sci , vol.421 , pp. 1-6
    • Juan, A.1    Hoffmann, R.2
  • 13
    • 0042540974 scopus 로고
    • Carbon-hydrogen and hydrogen-hydrogen activation in transition metal complexes and on surfaces
    • Saillard J.Y., Hoffmann R. Carbon-hydrogen and hydrogen-hydrogen activation in transition metal complexes and on surfaces. J Am Chem Soc. 106:1984;2006-2026.
    • (1984) J Am Chem Soc , vol.106 , pp. 2006-2026
    • Saillard, J.Y.1    Hoffmann, R.2
  • 15
    • 0001378133 scopus 로고
    • 3 to close-packed surfaces of the first transition-metal series, Sc through Cu
    • 3 to close-packed surfaces of the first transition-metal series, Sc through Cu Phys Rev B. 39:1989;1013-1019.
    • (1989) Phys Rev B , vol.39 , pp. 1013-1019
    • Nath, K.1    Anderson, A.B.2
  • 16
    • 36749104686 scopus 로고
    • Derivation of the extended Hückel method with corrections: One electron molecular orbital theory for energy level and structure determination
    • Anderson A.B. Derivation of the extended Hückel method with corrections. one electron molecular orbital theory for energy level and structure determination J Chem Phys. 62:1975;1187-1188.
    • (1975) J Chem Phys , vol.62 , pp. 1187-1188
    • Anderson, A.B.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.