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

• المؤلفون الرئيسيون: C. Supatutkul, S. Pramchu, A. P. Jaroenjittichai, Y. Laosiritaworn
• التنسيق: دورية
• منشور في: 2018
• الموضوعات: Chemistry; Materials Science; Physics and Astronomy
• الوصول للمادة أونلاين: https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84994012269&origin=inward; http://cmuir.cmu.ac.th/jspui/handle/6653943832/55410

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