Density functional theory investigation of surface defects in Sn-doped ZnO

• Main Authors: C. Supatutkul, S. Pramchu, A. P. Jaroenjittichai, Y. Laosiritaworn
• 格式: 雜誌
• 出版: 2018
• 主題: Chemistry; Materials Science; Physics and Astronomy
• 在線閱讀: https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84965048090&origin=inward; http://cmuir.cmu.ac.th/jspui/handle/6653943832/55447
• 機構: Chiang Mai University

© 2016 . In this work, the first principle density functional theory calculation was used to investigate the Sn-doped ZnO on both non-polar (101(combining overline)0) and polar (0001) surfaces. The incorporation of Sn dopant in host material was modeled as ZnO with surface and bulk defects. The surf...