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Crystal electron binding energy and surface work function control of tin dioxide

Catlow, Charles Richard ORCID:, Butler, Keith T., Buckeridge, John and Walsh, Aron 2014. Crystal electron binding energy and surface work function control of tin dioxide. Physical Review B 89 (11) , 115320. 10.1103/PhysRevB.89.115320

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The work function of a material is commonly used as an intrinsic reference for band alignment; however, it is notoriously susceptible to extrinsic conditions. Following the classification of Bardeen we calculate values for the bulk binding energy of electrons in rutile-structured SnO2 and the effect of the surface on the work function, thus highlighting the role of the surface in determining the energy levels of a material. Furthermore we demonstrate how, through the use of ultrathin heteroepitaxial oxide layers (SiO2, TiO2, PbO2) at the surface, the work function can be tuned to achieve energy levels commensurate with important technological materials. This approach can be extended from transparent conducting oxides to other semiconducting materials.

Item Type: Article
Date Type: Published Online
Status: Published
Schools: Chemistry
Subjects: Q Science > QD Chemistry
Publisher: Americal Physical Society
ISSN: 2469-9969
Last Modified: 31 Oct 2022 10:10

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