Selenium adsorption at different coverages on Fe(1 0 0) and Fe(1 1 1): A DFT study

Schwindt, V. Cardoso; Ardenghi, Juan Sebastian; Bechthold, P.; Gonzalez, Estela Andrea; Jasen, Paula Verónica; Juan, Alfredo; Batič, Barbara Šetina; Jenko, Monika

doi:10.1016/j.apsusc.2014.07.131

Cited by 11 publications

(6 citation statements)

References 46 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Comprehensive reviews conducted by Robberecht and Van Grieken [ 4 ] and Tan et al [ 6 ] offer an excellent overview of all current known treatments used for Se. It can be seen from the two recent reviews that although a great variety of biological [ 12 – 14 ], chemical [ 15 – 20 ], and physical treatments technologies [ 9 , 21 , 22 ] were developed in recent years, no single treatment offers a complete and cost effective scheme for treating Se from waste or drinking water. While biological treatments stand as one of the best options for treating Se, challenges related to long-term stability of the biogenic selenium and the predicting of the fate of the bioreduced Se in the environment are two major concerns.…”

Section: Introductionmentioning

confidence: 99%

“…Reports showed that the strong affinity of SeO 3 −2 to iron hydroxide surfaces resulted in around 99% removal rate for a wide pH range (3–8). In contrast, the process was not effective for SO 4 −2 and its presence acted as a competitor for the desorption sites causing suppressed removal rates [ 20 ]. The inadequate SO 4 −2 removal was also related to interacting between the various Se species and the surface of the adsorbent.…”

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Enhanced Adsorption of Selenium Ions from Aqueous Solution Using Iron Oxide Impregnated Carbon Nanotubes

Bakather

Fard

Ihsanullah

et al. 2017

Bioinorganic Chemistry and Applications

View full text Add to dashboard Cite

The aim of this research was to investigate the potential of raw and iron oxide impregnated carbon nanotubes (CNTs) as adsorbents for the removal of selenium (Se) ions from wastewater. The original and modified CNTs with different loadings of Fe2O3 nanoparticles were characterized using high resolution transmission electron microscopy (HRTEM), scanning electron microscopy (SEM), X-ray diffractometer (XRD), Brunauer, Emmett, and Teller (BET) surface area analyzer, thermogravimetric analysis (TGA), zeta potential, and energy dispersive X-ray spectroscopy (EDS). The adsorption parameters of the selenium ions from water using raw CNTs and iron oxide impregnated carbon nanotubes (CNT-Fe2O3) were optimized. Total removal of 1 ppm Se ions from water was achieved when 25 mg of CNTs impregnated with 20 wt.% of iron oxide nanoparticles is used. Freundlich and Langmuir isotherm models were used to study the nature of the adsorption process. Pseudo-first and pseudo-second-order models were employed to study the kinetics of selenium ions adsorption onto the surface of iron oxide impregnated CNTs. Maximum adsorption capacity of the Fe2O3 impregnated CNTs, predicted by Langmuir isotherm model, was found to be 111 mg/g. This new finding might revolutionize the adsorption treatment process and application by introducing a new type of nanoadsorbent that has super adsorption capacity towards Se ions.

show abstract

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Enhanced Adsorption of Selenium Ions from Aqueous Solution Using Iron Oxide Impregnated Carbon Nanotubes

Bakather

Fard

Ihsanullah

et al. 2017

Bioinorganic Chemistry and Applications

View full text Add to dashboard Cite

show abstract

“…The role played by an ordered overlayer of foreign atoms adsorbed on metals or semiconductor surfaces is a widely investigated topic in condensed matter physics and physical chemistry. Theoretical and experimental efforts have highlighted a rich phenomenology of adsorbate-induced effects, such as modifications of the work function [1,2] or surface electronic structure [3,4], enhanced [5][6][7] or tailored [8][9][10][11][12][13][14] surface magnetism, and structural relaxations [15][16][17][18], just to name a few. Aside from the above-mentioned phenomena, a widely investigated topic is the so-called surfactant-assisted epitaxial growth [19][20][21][22][23][24].…”

Section: Introductionmentioning

confidence: 99%

Mesoscopic organization of cobalt thin films on clean and oxygen-saturated Fe(001) surfaces

et al. 2015

View full text Add to dashboard Cite

The different morphologies of Co films grown on either the clean Fe(001) surface and the oxygen-saturated Fe(001)-p(1 × 1)O substrate are investigated by means of scanning tunneling microscopy, Auger electron spectroscopy, and density functional theory. The considered Co coverage range extends beyond the thickness at which layer-by-layer growth is destabilized by plastic deformations induced by the relaxation of the strain accumulated in the film. Our findings indicate that the oxygen overlayer of the Fe(001)-p(1 × 1)O surface floats on top of the growing Co film and strongly influences both the Co nucleation process and the film structural evolution. The layer-dependent islands nucleation of Co films grown on clean Fe(001) substrates, recently associated with a thickness-dependent adatom mobility [A. Picone et al., Phys. Rev. Lett. 113, 046102 (2014)], is found to be suppressed by the oxygen overlayer. The latter also significantly delays the layer-by-layer instability with respect to the oxygen-free growth. Furthermore, the body-centered-tetragonal/hexagonal-close-packed transition is not observed in the case of Co/Fe(001)-p(1 × 1)O sample, replaced by the development of highly ordered surface undulations. These form a mesoscopic square pattern with the sides aligned to the Fe 110 directions, while the surface atomic structure retains the square p(1 × 1) symmetry in registry with the substrate. Such undulations are likely generated by a highly ordered array of interfacial misfit dislocations running along the Fe 110 directions.

show abstract

“…Se atoms are located between 1.675 and 2.253Å above the surfaces. Similar Fe-Se and height distances were determined for Se on the bcc Fe(110), Fe(100) and Fe(111) surfaces [22,23]. Unfortunately, there are no experimental data available for a direct comparison for Se adsorption in this alloy.…”

Section: Surface Geometry and Magnetic Properties For A Clean Surfacementioning

confidence: 99%

“…They also reported that the Se caused an ordered reconstruction and relaxation of the Fe surface. Cardoso Schwindt et al [23] also studied the effect of Se in the bcc Fe(100) and Fe(111) surfaces. Their calculations predict that it is possible to achieve a decrease of about 50% in the magnetic moment on the Fe(100) surface after Se adsorption.…”

Section: Introductionmentioning

confidence: 96%

Electronic structure and soft magnetic properties of Se/FeSiAl (110) films

Schwindt

Ardenghi

Bechthold

et al. 2015

Applied Surface Science

Self Cite

View full text Add to dashboard Cite

Selenium adsorption at different coverages on Fe(1 0 0) and Fe(1 1 1): A DFT study

Cited by 11 publications

References 46 publications

Enhanced Adsorption of Selenium Ions from Aqueous Solution Using Iron Oxide Impregnated Carbon Nanotubes

Enhanced Adsorption of Selenium Ions from Aqueous Solution Using Iron Oxide Impregnated Carbon Nanotubes

Mesoscopic organization of cobalt thin films on clean and oxygen-saturated Fe(001) surfaces

Electronic structure and soft magnetic properties of Se/FeSiAl (110) films

Contact Info

Product

Resources

About