Quantum Chemical Study of Water Adsorption on the Surfaces of SrTiO3 Nanotubes.


We have studied the adsorption of water molecules on the inner and outer surfaces of nanotubes generated by rolling (001) layers of SrTiO3 cubic crystals. The stability and the atomic and electronic structures of the adsorbed layers are determined by using hybrid density functional theory. The absorption energy and the preferred adsorbate structure are… (More)
DOI: 10.1002/cphc.201500267


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