TY  - JOUR
VL  - 93
AV  - public
Y1  - 2004/09/10/
TI  - Novel water overlayer growth on Pd(111) characterized with scanning tunneling microscopy and density functional theory
IS  - 11
N1  - The American Physical Society
UR  - http://dx.doi.org/10.1103/PhysRevLett.93.116101
PB  - AMERICAN PHYSICAL SOC
SN  - 0031-9007
N2  - Scanning tunneling microscopy (STM) images of water submonolayers on Pd(111) reveal quasiperiodic and isolated adclusters with internal structure that would ordinarily be ascribed to icelike puckered hexagonal units. However, density functional theory and STM simulations contradict this conventional picture, showing instead that the water adlayers are composed mainly of flat-lying molecules arranged in planar water hexagons. A new rule for two dimensional (2D) water growth is offered that generates the structures observed experimentally from planar hexamer units.
ID  - discovery167439
A1  - Cerda, J
A1  - Michaelides, A
A1  - Bocquet, ML
A1  - Feibelman, PJ
A1  - Mitsui, T
A1  - Rose, M
A1  - Fomin, E
A1  - Salmeron, M
KW  - TOTAL-ENERGY CALCULATIONS
KW  -  WAVE BASIS-SET
KW  -  ADSORPTION
KW  -  FORMALISM
KW  -  SURFACES
KW  -  RU(0001)
JF  - PHYS REV LETT
ER  -