Published in

Royal Society of Chemistry, Nanoscale, 2(6), p. 1181-1187, 2014

DOI: 10.1039/c3nr04028c

Links

Tools

Export citation

Search in Google Scholar

Bandgap engineering through nanoporosity

Journal article published in 2013 by Ilker Demiroglu, Sergio Tosoni ORCID, Francesc Illas, Stefan T. Bromley ORCID
This paper is available in a repository.
This paper is available in a repository.

Full text: Download

Green circle
Preprint: archiving allowed
Orange circle
Postprint: archiving restricted
Red circle
Published version: archiving forbidden
Data provided by SHERPA/RoMEO

Abstract

Considering 105 ZnO polymorphs we use many body GW and density functional based calculations to probe how the band gap is affected by nanoporosity. Within a reasonable range of energetic stability, we predict that nanoporosity can induce band gap increases of up to ∼1.5 eV relative to wurtzite ZnO. Our results further imply that structural stability and band gap increase are fundamentally linked to pore system dimensionality. We suggest that nanoporosity could be employed as a general band gap engineering method for morphologically and electronically tailored functional materials.