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Issue 25, 2014
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Interaction of acetone with the Ge(001) surface

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The adsorption of acetone on the Ge(001) surface has been investigated using density functional theory (DFT). We have considered a number of different possible adsorbate configurations corresponding to the dative bonded, α-hydrogen cleavage, [2 + 2] cycloaddition, end-bridging and dimer-bridging structures. Analysis of the associated energetics has resulted in a comprehensive description of the overall reaction processes of acetone on the Ge(001) surface. The preferred structure at low temperature is found to be the dative structure, whilst at higher temperature the predominant structure is predicted to be a dimer-bridge dissociated configuration. Both of these predictions are consistent with the available experimental data. Comparison with earlier work of acetone on Si(001) reveals significantly weaker bonding in the case of Ge(001), and highlights fundamental differences between the chemical properties of these two surfaces.

Graphical abstract: Interaction of acetone with the Ge(001) surface

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Publication details

The article was received on 12 Dec 2013, accepted on 20 Feb 2014 and first published on 04 Mar 2014

Article type: Paper
DOI: 10.1039/C3RA47591C
Citation: RSC Adv., 2014,4, 12672-12679
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    Interaction of acetone with the Ge(001) surface

    P. V. Smith, D. R. Belcher, O. Ponomarenko, S. A. Saraireh and M. W. Radny, RSC Adv., 2014, 4, 12672
    DOI: 10.1039/C3RA47591C

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