The electronic states of ITO–MoS2: Experiment and theory

López-Galán, Oscar A.; Ramos, Manuel; Nogan, John; Ávila-García, Alejandro; Boll, Torben; Heilmaier, Martin

doi:10.1557/s43579-021-00126-9

Title: The electronic states of ITO–MoS2: Experiment and theory

Journal Article · 16 December 2021 · MRS communications

DOI: https://doi.org/10.1557/s43579-021-00126-9 · OSTI ID:1836125

;

; Nogan, John; Ávila-García, Alejandro; Boll, Torben; Heilmaier, Martin

Abstract We report a combination of experimental results with density functional theory (DFT) calculations to understand electronic structure of indium tin oxide and molybdenum disulfide (ITO–MoS ₂ ) interface. Our results indicate ITO and MoS ₂ conform an n-type Schottky barrier of c.a. − 1.0 eV due to orbital interactions; formation of an ohmic contact is caused by semiconducting and metal behavior of ITO as a function of crystal plane orientation. ITO introduces energy levels around the Fermi level in all interface models in the Γ-Μ-Κ-Γ path. The resulted Van der Waals interface and the values of Schottky barrier height enhance electron carrier injection. Graphical abstract

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Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA), Office of Defense Nuclear Security

Grant/Contract Number:: AC04-94AL85000

OSTI ID:: 1836125

Journal Information:: MRS communications, Journal Name: MRS communications Journal Issue: 2 Vol. 12; ISSN 2159-6867

Publisher:: Cambridge University Press (CUP)Copyright Statement

Country of Publication:: United States

Language:: English

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