Formation energies of low-indexed surfaces of tin dioxide terminated by nonmetals
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24/02/2010
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Resumo |
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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Relação |
DOI:10.1016/j.ssc.2010.02.021 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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Copyright 2010 Elsevier Ltd. All rights reserved. |
Fonte |
School of Chemistry, Physics & Mechanical Engineering; Science & Engineering Faculty |
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Journal Article |