journal article May 05, 2004

Water adsorption on metal surfaces: A general picture from density functional theory studies

View at Publisher Save 10.1103/physrevb.69.195404
Topics

No keywords indexed for this article. Browse by subject →

References
60
[1]
P.A. Thiel Surf. Sci. Rep. (1987) 10.1016/0167-5729(87)90001-x
[2]
The interaction of water with solid surfaces: fundamental aspects revisited

M Henderson

Surface Science Reports 2002 10.1016/s0167-5729(01)00020-6
[3]
M. Morgenstern Phys. Rev. Lett. (1996) 10.1103/physrevlett.77.703
[4]
M. Morgenstern Z. Phys. Chem. (Munich) (1997) 10.1524/zpch.1997.198.part_1_2.043
[5]
L.E. Firment J. Chem. Phys. (1975) 10.1063/1.431401
[6]
L.E. Firment Surf. Sci. (1979) 10.1016/0039-6028(79)90138-9
[7]
D.L. Doering Surf. Sci. (1982) 10.1016/0039-6028(82)90331-4
[8]
K. Morgenstern Phys. Rev. Lett. (2002) 10.1103/physrevlett.88.066102
[9]
K. Morgenstern J. Chem. Phys. (2002) 10.1063/1.1453965
[10]
T. Mitsui Science (2002) 10.1126/science.1075095
[11]
S. Haq Surf. Sci. (2002) 10.1016/s0039-6028(02)01152-4
[12]
P.J. Feibelman Science (2002) 10.1126/science.1065483
[13]
D. Menzel Science (2002) 10.1126/science.1067922
[14]
K.D. Gibson J. Chem. Phys. (2000) 10.1063/1.481603
[15]
G. Pirug Surf. Sci. (1998) 10.1016/s0039-6028(98)00055-7
[16]
A. Glebov J. Chem. Phys. (1997) 10.1063/1.474008
[17]
S. Meng Phys. Rev. Lett. (2002) 10.1103/physrevlett.89.176104
[18]
H. Ogasawara Phys. Rev. Lett. (2003) 10.1103/physrevlett.89.276102
[19]
P.J. Feibelman Phys. Rev. Lett. (2003) 10.1103/physrevlett.91.059601
[20]
D.J. Mann Phys. Rev. Lett. (2003) 10.1103/physrevlett.90.195503
[21]
D.N. Denzler Chem. Phys. Lett. (2003) 10.1016/s0009-2614(03)01016-9
[22]
S. Meng J. Chem. Phys. (2003) 10.1063/1.1617974
[23]
Ab initiomolecular dynamics for liquid metals

G. Kresse, J. Hafner

Physical Review B 1993 10.1103/physrevb.47.558
[24]
[25]
G. Kresse J. Phys.: Condens. Matter (1994)
[26]
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set

G. Kresse, J. Furthmüller

Computational Materials Science 1996 10.1016/0927-0256(96)00008-0
[27]
Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set

G. Kresse, J. Furthmüller

Physical Review B 1996 10.1103/physrevb.54.11169
[28]
Special points for Brillouin-zone integrations

Hendrik J. Monkhorst, James D. Pack

Physical Review B 1976 10.1103/physrevb.13.5188
[29]
High-precision sampling for Brillouin-zone integration in metals

M. Methfessel, A. T. Paxton

Physical Review B 1989 10.1103/physrevb.40.3616
[30]
Soft self-consistent pseudopotentials in a generalized eigenvalue formalism

David Vanderbilt

Physical Review B 1990 10.1103/physrevb.41.7892
[31]
Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation

John P. Perdew, J. A. Chevary, S. H. Vosko et al.

Physical Review B 1992 10.1103/physrevb.46.6671
[32]
L. Giordano Phys. Rev. Lett. (1998) 10.1103/physrevlett.81.1271
[33]
S. Tsuzuki J. Chem. Phys. (2001) 10.1063/1.1344891
[34]
F. Sim J. Am. Chem. Soc. (1992) 10.1021/ja00037a055
[35]
R.N. Barnett Phys. Rev. B (1993) 10.1103/physrevb.48.2081
[36]
S. Izvekov J. Chem. Phys. (2001) 10.1063/1.1403438
[37]
A. Michaelides Phys. Rev. Lett. (2003) 10.1103/physrevlett.90.216102
[38]
K. Jacobi Surf. Sci. (2001) 10.1016/s0039-6028(00)00932-8
[39]
M. Nakamura Chem. Phys. Lett. (1999) 10.1016/s0009-2614(99)00673-9
[40]
M. Nakamura Chem. Phys. Lett. (2000) 10.1016/s0009-2614(00)00663-1
[41]
A.L. Glebov Surf. Sci. (1999) 10.1016/s0039-6028(99)00228-9
[42]
H. Ogasawara J. Chem. Phys. (1999) 10.1063/1.479993
[43]
H. Ogasawara Chem. Phys. Lett. (1994) 10.1016/0009-2614(94)01251-2
[44]
The Water Dipole Moment in Water Clusters

J. K. Gregory, D. C. Clary, K. Liu et al.

Science 1997 10.1126/science.275.5301.814
[45]
G.B. Fisher Surf. Sci. (1980) 10.1016/0039-6028(80)90018-7
[46]
F.T. Wagner Surf. Sci. (1987) 10.1016/s0039-6028(87)81052-x
[47]
R.S. Smith Surf. Sci. (1996) 10.1016/s0039-6028(96)00943-0
[48]
P. Löfgren Surf. Sci. (1996) 10.1016/s0039-6028(96)00944-2
[49]
On the Water−Carbon Interaction for Use in Molecular Dynamics Simulations of Graphite and Carbon Nanotubes

T. Werder, J. H. Walther, R. L. Jaffe et al.

The Journal of Physical Chemistry B 2003 10.1021/jp0268112
[50]
P.A. Thiel J. Chem. Phys. (1984) 10.1063/1.446561

Showing 50 of 60 references

Metrics
487
Citations
60
References
Details
Published
May 05, 2004
Vol/Issue
69(19)
License
View
Cite This Article
Sheng Meng, E. G. Wang, Shiwu Gao (2004). Water adsorption on metal surfaces: A general picture from density functional theory studies. Physical Review B, 69(19). https://doi.org/10.1103/physrevb.69.195404
Related

You May Also Like

Projector augmented-wave method

P. E. Blöchl · 1994

84,886 citations

Special points for Brillouin-zone integrations

Hendrik J. Monkhorst, James D. Pack · 1976

66,265 citations