Experimental Observation and Computer Simulation of Al/Sn Substitution in p-Type Aluminum Nitride-Doped Tin Oxide Thin Film

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Title:	Experimental Observation and Computer Simulation of Al/Sn Substitution in p-Type Aluminum Nitride-Doped Tin Oxide Thin Film
Authors:	劉正毓;Lee, Po-Ming;Liu, Yen-Shuo;Villamagua, Luis;Stashans, Arvids;Carini, Manuela;Liu, Cheng-Yi
Contributors:	工學院化學工程與材料工程學系
Keywords:	aluminum;annealing;computer simulation;photoluminescence;physical chemistry;temperature;tin;tin dioxide
Date:	2016-03-03
Issue Date:	2026-04-21 14:50:13 (UTC+8)
Publisher:	American Chemical Society
Abstract:	摘要： In this study, the Al3+–Sn4+ substitution reaction in the AlN-doped SnO2 thin films is confirmed by photoluminescence and X-ray photoelectron spectrum analysis. Also, both Al3+–Sn4+ and N3––O2– substitution reactions are verified by computational simulation, Vienna ab initio simulation package (VASP). The computational simulation shows that both Al and N impurity dopants generate an unoccupied band at the upper valence band maximum, which produces holes within the upper valence band region. Both Al3+–Sn4+ and N3––O2– substitution reactions contribute to the p-type conversion of AlN-doped SnO2 thin films. Annealing AlN-doped SnO2 (Al content is 14.65%) thin films at high-temperature (larger than 350 °C), N outgassing would occur and cause the p-type conduction of the annealed AlN-doped SnO2 thin films back to n-type conduction. Yet, in this work, we found that the Al3+–Sn4+ substitution reaction in the high Al-doping concentration of Al-doped and AlN-doped SnO2 (the Al content is between 29% and 33.2%) thin films would be activated considerably, as they are annealed at a temperature over 500 °C. With a higher Al-doping concentration (Al concentration is 33.2%) in the Al-doped SnO2 thin films, we found that the critical annealing temperature for the n-to-p conduction transition decreases to 500 °C. The Al dopants in the AlN-doped SnO2 thin films annealed at high annealing temperature not only stabilize the N3––O2– substitution reactions but also produce hole carriers by the Al3+–Sn4+ substitution reactions. The Al3+–Sn4+ substitution makes the AlN-doped SnO2 retain the p-type conduction in the high-temperature annealing. 其他題名： J. Phys. Chem. C 出版者： American Chemical Society 出版日期： 2016-03-03 出處： Journal of physical chemistry. C, 2016-03, Vol.120 (8), p.4211-4218 資源來源： American Chemical Society Journals 版權： Copyright © 2016 American Chemical Society 識別號： ISSN: 1932-7447 識別號： ISSN: 1932-7455 識別號： EISSN: 1932-7455 識別號： DOI: 10.1021/acs.jpcc.5b10791
Appears in Collections:	[Department of Chemical and Materials Engineering] journal & Dissertation

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