Publication

Adsorbate-localized states at water-covered (100) SrTiO[sub 3] surfaces

Nava Setter
2011
Journal Articles

Abstract

The electronic structure of hydrated SrTiO3 (001) surfaces is investigated using density-functional models. It is shown that adsorbed water molecules give rise to unoccupied electron states similar in localization and shape to wet-electron states recently reported for other oxide-water interfaces, and believed to serve as a preferred path for transfer of conduction electrons to the surface water molecules. Additionally, we found that chemisorbed water and hydrogen have donor levels in the band gap, and that chemisorbed hydrogen is oxidized and released in the presence of free holes. These gap states can serve as surface recombination centers in photoelectrochemical cells. (C) 2011 American Institute of Physics. [doi:10.1063/1.3529473]

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https://infoscience.epfl.ch/entities/publication/6e4f79bc-8fcf-4f2b-b301-34d21a0cdc13

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Nava Setter
2011
Journal Articles

Abstract

Official source

https://infoscience.epfl.ch/entities/publication/6e4f79bc-8fcf-4f2b-b301-34d21a0cdc13

About this result

Related concepts (32)

Photoelectrochemical cell

A "photoelectrochemical cell" is one of two distinct classes of device. The first produces electrical energy similarly to a dye-sensitized photovoltaic cell, which meets the standard definition of a photovoltaic cell. The second is a photoelectrolytic cell, that is, a device which uses light incident on a photosensitizer, semiconductor, or aqueous metal immersed in an electrolytic solution to directly cause a chemical reaction, for example to produce hydrogen via the electrolysis of water.

Band gap

In solid-state physics and solid-state chemistry, a band gap, also called a bandgap or energy gap, is an energy range in a solid where no electronic states exist. In graphs of the electronic band structure of solids, the band gap refers to the energy difference (often expressed in electronvolts) between the top of the valence band and the bottom of the conduction band in insulators and semiconductors. It is the energy required to promote an electron from the valence band to the conduction band.

Free electron model

In solid-state physics, the free electron model is a quantum mechanical model for the behaviour of charge carriers in a metallic solid. It was developed in 1927, principally by Arnold Sommerfeld, who combined the classical Drude model with quantum mechanical Fermi–Dirac statistics and hence it is also known as the Drude–Sommerfeld model.

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Adsorbate-localized states at water-covered (100) SrTiO[sub 3] surfaces

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