Cerda, J; Michaelides, A; Bocquet, ML; Feibelman, PJ; Mitsui, T; Rose, M; ... Salmeron, M; + view all Cerda, J; Michaelides, A; Bocquet, ML; Feibelman, PJ; Mitsui, T; Rose, M; Fomin, E; Salmeron, M; - view fewer (2004) Novel water overlayer growth on Pd(111) characterized with scanning tunneling microscopy and density functional theory. PHYS REV LETT , 93 (11) , Article 116101. 10.1103/PhysRevLett.93.116101.
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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.
|Title:||Novel water overlayer growth on Pd(111) characterized with scanning tunneling microscopy and density functional theory|
|Open access status:||An open access version is available from UCL Discovery|
|Additional information:||The American Physical Society|
|Keywords:||TOTAL-ENERGY CALCULATIONS, WAVE BASIS-SET, ADSORPTION, FORMALISM, SURFACES, RU(0001)|
|UCL classification:||UCL > School of BEAMS > Faculty of Maths and Physical Sciences > London Centre for Nanotechnology|
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