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Chemical Vapor Deposition Synthesis and Optical Properties of Nb2O5 thin films with Hybrid Functional Theoretical Insight into Band Structure and Band Gaps

DOI: 10.1021/acsami.7b00907 DOI Help

Authors: Sanjayan Sathasivam (University College London) , Benjamin Albert Dobson Williamson (University College London) , Shaeel A. Al Thabaiti (King Abdulaziz University) , Abdullah Y. Obaid (King Abdulaziz University) , Sulaiman N. Basahel (King Abdulaziz University) , Mohamed Mokhtar (King Abdulaziz University) , David O. Scanlon (University College London; Diamond Light Source) , Claire J. Carmalt (University College London) , Ivan P. Parkin (University College London)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Acs Applied Materials & Interfaces

State: Published (Approved)
Published: May 2017

Abstract: Nb2O5 is an important material able to exist in many polymorphs with unique optical properties and morphologies that are dependent on the synthetic route. Here we report a novel ambient pressure chemical vapour deposition route to Nb2O5 via aerosol assisted chemical vapour deposition. The amorphous as deposited films were annealed in air to obtain the three most stable crystal structures - orthorhombic, tetragonal and monoclinic. The films were thoroughly characterized for their material properties and an in depth study into the optical properties was carried out using state of the art hybrid functional theory that allowed more insight into the optical properties of the materials

Subject Areas: Chemistry

Technical Areas: