Formation energies of low-indexed surfaces of tin dioxide terminated by nonmetals

Sun, Chenghua, Du, Aijun, Liu, Gang, Qiao, Shizhang, Lu, Gaoqing, & Smith, Sean C. (2010) Formation energies of low-indexed surfaces of tin dioxide terminated by nonmetals. Solid State Communications, 150(19-20), pp. 957-960.

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The surface formation energies of four low-indexed surfaces, including (001), (100), (110) and (011), of tin dioxide (SnO2) terminated by nonmetals (H, N, O, F, Cl, Br, and I) have been studied with the frameworks of density functional theory. A strong dependence of relative surface stabilities on surface atoms has been presented based on the calculations. Several instructions, in particular the selection of specific precursors and morphology controlling agents, have been further illustrated as a guideline for experimentalists.

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ID Code: 61142
Item Type: Journal Article
Refereed: Yes
Additional URLs:
DOI: 10.1016/j.ssc.2010.02.021
ISSN: 1879-2766 (online) 0038-1098 (print)
Divisions: Current > Schools > School of Chemistry, Physics & Mechanical Engineering
Current > QUT Faculties and Divisions > Science & Engineering Faculty
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Copyright Owner: Copyright 2010 Elsevier Ltd. All rights reserved.
Deposited On: 08 Jul 2013 02:47
Last Modified: 19 Jul 2013 01:56

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