Activation mechanism of ammonium ions on sulfidation of malachite (–201) surface by DFT study

•The activation mechanism of ammonium ions on the sulfidation of malachite (−201) was studied by DFT calculations.•Interlayer sulfidation occurs during the sulfidation process of malachite (−201).•The absorption of both ammonium ion and sulfide ion on the malachite (−201) surface is stronger than th...

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Bibliographic Details
Published in:Applied surface science 2017-07, Vol.410, p.126-133
Main Authors: Wu, Dandan, Mao, Yingbo, Deng, Jiushuai, Wen, Shuming
Format: Article
Language:English
Subjects:
Activation mechanism
Ammonium ions
DFT
Malachite
Sulfidation
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Summary:•The activation mechanism of ammonium ions on the sulfidation of malachite (−201) was studied by DFT calculations.•Interlayer sulfidation occurs during the sulfidation process of malachite (−201).•The absorption of both ammonium ion and sulfide ion on the malachite (−201) surface is stronger than that of sulfur ion.•After sulfidation was activated with ammonium ion, the Cu 3d orbital peak is closer to the Fermi level. The activation mechanism of ammonium ions on the sulfidation of malachite (−201) was determined by density functional theory (DFT) calculations. Results of DFT calculations indicated that interlayer sulfidation occurs during the sulfidation process of malachite (−201). The absorption of both the ammonium ion and sulfide ion on the malachite (−201) surface is stronger than that of sulfur ion. After sulfidation was activated with ammonium ion, the Cu 3d orbital peak is closer to the Fermi level and characterized by a stronger peak value. Therefore, the addition of ammonium ions activated the sulfidation of malachite (−201), thereby improving the flotation performance.
ISSN:0169-4332
1873-5584
DOI:10.1016/j.apsusc.2017.03.058