Energy level shifts at the silica/Ru(0001) heterojunction driven by surface and interface dipoles

Wang, Mengen; Zhong, Jian -Qiang; Kestell, John; Waluyo, Iradwikanari; Stacchiola, Dario J.; Boscoboinik, J. Anibal; Lu, Deyu

doi:10.1007/s11244-016-0704-x

Title: Energy level shifts at the silica/Ru(0001) heterojunction driven by surface and interface dipoles

Journal Article · 12 September 2016 · Topics in Catalysis

DOI: https://doi.org/10.1007/s11244-016-0704-x · OSTI ID:1328366

Wang, Mengen ^[1]; Zhong, Jian -Qiang ^[2]; Kestell, John ^[2]; Waluyo, Iradwikanari ^[2]; Stacchiola, Dario J. ^[2]; Boscoboinik, J. Anibal ^[2]; Lu, Deyu ^[2]

Brookhaven National Lab. (BNL), Upton, NY (United States); Stony Brook Univ., Stony Brook, NY (United States)
Brookhaven National Lab. (BNL), Upton, NY (United States)

Charge redistribution at heterogeneous interfaces is a fundamental aspect of surface chemistry. Manipulating the amount of charges and the magnitude of dipole moments at the interface in a controlled way has attracted tremendous attention for its potential to modify the activity of heterogeneous catalysts in catalyst design. Two-dimensional ultrathin silica films with well-defined atomic structures have been recently synthesized and proposed as model systems for heterogeneous catalysts studies. R. Wlodarczyk et al. (Phys. Rev. B, 85, 085403 (2012)) have demonstrated that the electronic structure of silica/Ru(0001) can be reversibly tuned by changing the amount of interfacial chemisorbed oxygen. Here we carried out systematic investigations to understand the underlying mechanism through which the electronic structure at the silica/Ru(0001) interface can be tuned. As corroborated by both in situ X-ray photoelectron spectroscopy and density functional theory calculations, the observed interface energy level alignments strongly depend on the surface and interfacial charge transfer induced dipoles at the silica/Ru(0001) heterojunction. These observations may help to understand variations in catalytic performance of the model system from the viewpoint of the electronic properties at the confined space between the silica bilayer and the Ru(0001) surface. As a result, the same behavior is observed for the aluminosilicate bilayer, which has been previously proposed as a model system for zeolites.

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Research Organization:: Brookhaven National Laboratory (BNL), Upton, NY (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: SC00112704

OSTI ID:: 1328366

Report Number(s):: BNL-112657-2016-JA; R&D Project: 16068; KC0403020

Journal Information:: Topics in Catalysis, Journal Name: Topics in Catalysis; ISSN 1022-5528

Publisher:: SpringerCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 27 works

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Title: Energy level shifts at the silica/Ru(0001) heterojunction driven by surface and interface dipoles

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