2012
DOI: 10.1016/j.comptc.2011.11.046
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DFT study of the adsorption of Ni on Anatase (001) surface

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Cited by 23 publications
(23 citation statements)
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“…The aforementioned researches were mainly focused on the investigation of sorption capability of minerals [7][8][9][10][11][12][13][14][15][16]. However, desorption reactions of radionuclides from mineral surface were the most relevant retention process for radionuclides with the surrounding conditions changing [17].…”
Section: Introductionmentioning
confidence: 99%
See 1 more Smart Citation
“…The aforementioned researches were mainly focused on the investigation of sorption capability of minerals [7][8][9][10][11][12][13][14][15][16]. However, desorption reactions of radionuclides from mineral surface were the most relevant retention process for radionuclides with the surrounding conditions changing [17].…”
Section: Introductionmentioning
confidence: 99%
“…Sorption of Ni(II) onto mineral surfaces has been extensively studied since this process has significant effect on the transport properties [7][8][9][10][11][12][13]. There is no denying that the environmental condition has more or less influence on Ni(II) sorption and speciation.…”
Section: Introductionmentioning
confidence: 99%
“…A good example of a composite material is P25 which is used as the benchmark photocatalyst in many studies and is composed of a mix of rutile and anatase TiO2 that are chemically interfaced, rather than being physically mixed. In terms of structure engineering, there has been great interest in synthesizing anatase TiO2 structures with the (001) surface exposed, rather than the more stable (101) surface [55][56][57][58][59][60] . The motivation for this work is that the (001) anatase surface is more photocatalytically active than the (101) surface [55][56][57][58][59][60] .…”
Section: Introductionmentioning
confidence: 99%
“…In this context, the photo‐deposition (PD) assisted method has been proposed as an effective, simple and cost‐effective tool to establish catalyst‐TiO 2 interaction at the nanoscale . However, because of the limited intrinsic properties of TiO 2 , several modifications to intrinsic titania have been proposed, especially with doping elements such as Mo, Cr, Co, Nb, Cu, Ce, non‐metal doping elements or intrinsic surface defects,,, and applied also toward reactions of interest, e. g. in photo‐catalysis ,. Thus, the interaction between the catalytic center and the support oxide domain is very important as already reported for carbon .…”
Section: Introductionmentioning
confidence: 99%