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Type: Journal article
Title: Formation energies of low-indexed surfaces of tin dioxide terminated by nonmetals
Author: Sun, C.
Du, A.
Liu, G.
Qiao, S.
Lu, G.
Smith, S.
Citation: Solid State Communications, 2010; 150(19-20):957-960
Publisher: Pergamon-Elsevier Science Ltd
Issue Date: 2010
ISSN: 0038-1098
Statement of
Chenghua Sun, Aijun Du, Gang Liu, Shizhang Qiao, Gaoqing Lu, Sean C. Smith
Abstract: 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. © 2010 Elsevier Ltd. All rights reserved.
Keywords: A. Tin dioxide
D. Surface stability
E. Density functional theory
Rights: © 2010 Elsevier Ltd. All rights reserved.
DOI: 10.1016/j.ssc.2010.02.021
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Chemical Engineering publications

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