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Volumn 1, Issue 4, 2011, Pages

Effects of solvation shells and cluster size on the reaction of aluminum clusters with water

Author keywords

[No Author keywords available]

Indexed keywords

ALUMINUM; CLUSTER ANALYSIS; GASES; HYDROGEN BONDS; MOLECULAR DYNAMICS; MOLECULES; PHASE INTERFACES; PROTON TRANSFER; REACTION KINETICS; SOLVATION;

EID: 84855398963     PISSN: None     EISSN: 21583226     Source Type: Journal    
DOI: 10.1063/1.3664751     Document Type: Article
Times cited : (13)

References (44)
  • 5
    • 84881637398 scopus 로고
    • 10.1149/1.2407730
    • Belitsku.D, J Electrochem Soc 117 (8), 1097-1099 (1970). 10.1149/1.2407730
    • (1970) J Electrochem Soc , vol.117 , Issue.8 , pp. 1097-1099
    • Belitsku, D.1
  • 7
    • 34047098588 scopus 로고    scopus 로고
    • Combustion of nano-aluminum and liquid water
    • DOI 10.1016/j.proci.2006.08.056, Proceedings of the Combustion Institute - Thirty-First International Symposium on Combustion
    • G. A. Risha, S. F. Son, R. A. Yetter, V. Yang and B. C. Tappan, Proceedings of the Combustion Institute 31 (2), 2029-2036 (2007). 10.1016/j.proci.2006.08.056 (Pubitemid 47424222)
    • (2007) Proceedings of the Combustion Institute , vol.31 , pp. 2029-2036
    • Risha, G.A.1    Son, S.F.2    Yetter, R.A.3    Yang, V.4    Tappan, B.C.5
  • 10
    • 0037411301 scopus 로고    scopus 로고
    • Sequence of steps in the pitting of aluminum by chloride ions
    • DOI 10.1016/S0010-938X(02)00231-7
    • E. McCafferty, Corrosion Science 45 (7), 1421-1438 (2003). 10.1016/S0010-938X(02)00231-7 (Pubitemid 36400828)
    • (2003) Corrosion Science , vol.45 , Issue.7 , pp. 1421-1438
    • McCafferty, E.1
  • 12
    • 27144490699 scopus 로고    scopus 로고
    • Water-enhanced catalysis of CO oxidation on free and supported gold nanoclusters
    • DOI 10.1103/PhysRevLett.95.106102, 106102
    • A. Bongiorno and U. Landman, Physical Review Letters 95 (10), 106102 (2005). 10.1103/PhysRevLett.95.106102 (Pubitemid 41505780)
    • (2005) Physical Review Letters , vol.95 , Issue.10 , pp. 1-4
    • Bongiorno, A.1    Landman, U.2
  • 24
    • 11744384413 scopus 로고
    • 10.1016/0009-2614(95)00905-J
    • N. Agmon, Chemical Physics Letters 244 (5-6), 456-462 (1995). 10.1016/0009-2614(95)00905-J
    • (1995) Chemical Physics Letters , vol.244 , Issue.5-6 , pp. 456-462
    • Agmon, N.1
  • 31
    • 0011236321 scopus 로고    scopus 로고
    • 10.1103/PhysRevB.59.1758
    • G. Kresse and D. Joubert, Physical Review B 59 (3), 1758-1775 (1999). 10.1103/PhysRevB.59.1758
    • (1999) Physical Review B , vol.59 , Issue.3 , pp. 1758-1775
    • Kresse, G.1    Joubert, D.2
  • 32
    • 27744460065 scopus 로고
    • 10.1103/PhysRevB.49.14251
    • G. Kresse and J. Hafner, Physical Review B 49 (20), 14251-14269 (1994). 10.1103/PhysRevB.49.14251
    • (1994) Physical Review B , vol.49 , Issue.20 , pp. 14251-14269
    • Kresse, G.1    Hafner, J.2
  • 33
    • 0035501075 scopus 로고    scopus 로고
    • Linear-scaling density-functional-theory calculations of electronic structure based on real-space grids: Design, analysis, and scalability test of parallel algorithms
    • DOI 10.1016/S0010-4655(01)00247-8, PII S0010465501002478
    • F. Shimojo, R. K. Kalia, A. Nakano and P. Vashishta, Computer Physics Communications 140 (3), 303-314 (2001). 10.1016/S0010-4655(01)00247-8 (Pubitemid 32998127)
    • (2001) Computer Physics Communications , vol.140 , Issue.3 , pp. 303-314
    • Shimojo, F.1    Kalia, R.K.2    Nakano, A.3    Vashishta, P.4
  • 34
    • 84943502952 scopus 로고
    • 10.1080/00268978400101201
    • S. Nose, Molecular Physics 52 (2), 255-268 (1984). 10.1080/ 00268978400101201
    • (1984) Molecular Physics , vol.52 , Issue.2 , pp. 255-268
    • Nose, S.1
  • 35
    • 0001538909 scopus 로고
    • 10.1103/PhysRevA.31.1695
    • W. G. Hoover, Physical Review A 31 (3), 1695-1697 (1985). 10.1103/PhysRevA.31.1695
    • (1985) Physical Review A , vol.31 , Issue.3 , pp. 1695-1697
    • Hoover, W.G.1
  • 37
    • 1242329035 scopus 로고    scopus 로고
    • Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points
    • DOI 10.1063/1.1323224
    • G. Henkelman and H. Jonsson, Journal of Chemical Physics 113 (22), 9978-9985 (2000). 10.1063/1.1323224 (Pubitemid 32076892)
    • (2000) Journal of Chemical Physics , vol.113 , Issue.22 , pp. 9978-9985
    • Henkelman, G.1    Jonsson, H.2
  • 39
    • 0032500725 scopus 로고    scopus 로고
    • The chemistry of water on alumina surfaces: Reaction dynamics from first principles
    • DOI 10.1126/science.282.5387.265
    • K. C. Hass, W. F. Schneider, A. Curioni and W. Andreoni, Science 282 (5387), 265-268 (1998). 10.1126/science.282.5387.265 (Pubitemid 28487191)
    • (1998) Science , vol.282 , Issue.5387 , pp. 265-268
    • Hass, K.C.1    Schneider, W.F.2    Curioni, A.3    Andreoni, W.4
  • 40
    • 84855366304 scopus 로고    scopus 로고
    • RO-H increases from 1.000 Å to 1.005 Å after the water molecule is absorbed by the superatom
    • RO-H increases from 1.000 Å to 1.005 Å after the water molecule is absorbed by the superatom.
  • 43
    • 0035896410 scopus 로고    scopus 로고
    • Autoionization in liquid water
    • DOI 10.1126/science.1056991
    • P. L. Geissler, C. Dellago, D. Chandler, J. Hutter and M. Parrinello, Science 291 (5511), 2121-2124 (2001). 10.1126/science.1056991 (Pubitemid 32224437)
    • (2001) Science , vol.291 , Issue.5511 , pp. 2121-2124
    • Geissler, P.L.1    Dellago, C.2    Chandler, D.3    Hutter, J.4    Parrinello, M.5
  • 44
    • 84855366305 scopus 로고    scopus 로고
    • The initial and final states are obtained by the conjugate-gradient method with the energy tolerance of 0.001 eV except for the final state, for which the energy tolerance is 0.002 eV because it is not a stable minimum
    • The initial and final states are obtained by the conjugate-gradient method with the energy tolerance of 0.001 eV except for the final state, for which the energy tolerance is 0.002 eV because it is not a stable minimum.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.