Formation of water chains on CaO(001): What drives the 1D growth?

Zhao X, Shao X, Fujimori Y, Bhattacharya S, Ghiringhelli LM, Freund HJ, Sterrer M, Nilius N, Levchenko SV (2015)

Publication Type: Journal article

Publication year: 2015

Journal

Journal of Physical Chemistry Letters American Chemical Society

Book Volume: 6

Pages Range: 1204-1208

Journal Issue: 7

DOI: 10.1021/acs.jpclett.5b00223

Abstract

Formation of partly dissociated water chains is observed on CaO(001) films upon water exposure at 300 K. While morphology and orientation of the 1D assemblies are revealed from scanning tunneling microscopy, their atomic structure is identified with infrared absorption spectroscopy combined with density functional theory calculations. The latter exploit an ab initio genetic algorithm linked to atomistic thermodynamics to determine low-energy H2O configurations on the oxide surface. The development of 1D structures on the C4v symmetric CaO(001) is triggered by symmetry-broken water tetramers and a favorable balance between adsorbate-adsorbate versus adsorbate-surface interactions at the constraint of the CaO lattice parameter.

Authors with CRIS profile

Luca Ghiringhelli

Involved external institutions

Fritz-Haber-Institut der Max-Planck-Gesellschaft (FHI) DE Germany (DE)

How to cite

APA:

Zhao, X., Shao, X., Fujimori, Y., Bhattacharya, S., Ghiringhelli, L.M., Freund, H.J.,... Levchenko, S.V. (2015). Formation of water chains on CaO(001): What drives the 1D growth? Journal of Physical Chemistry Letters, 6(7), 1204-1208. https://doi.org/10.1021/acs.jpclett.5b00223

MLA:

Zhao, Xunhua, et al. "Formation of water chains on CaO(001): What drives the 1D growth?" Journal of Physical Chemistry Letters 6.7 (2015): 1204-1208.

BibTeX: Download