Photoemission studies of polymorphic CaCO3 materials

Gopinath, Chinnakonda S.; Hegde, S.G.; Ramaswamy, A.V.; Mahapatra, Samiran

doi:10.1016/s0025-5408(02)00763-8

Cited by 141 publications

(82 citation statements)

References 13 publications

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“…It is worth mentioning that our results on energy bands composition agree rather well with the experimental photoemission data 21 obtained for CaCO 3 crystals. In particular, according to the experimental results the VB features are mostly dominated by the O 2p states; however the contribution of C 2s, 2p, and Ca 3p AOs is not negligible.…”

Section: Resultssupporting

confidence: 90%

Electronic structure, chemical bonding, and geometry of pure and Sr‐doped CaCO₃

Stashans¹,

Chamba²,

Pinto³

2007

J Comput Chem

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The electronic structure, chemical bonding, geometry, and effects produced by Sr-doping in CaCO(3) have been studied on the basis of density-functional theory using the VASP simulation package and molecular-orbital theory utilizing the CLUSTERD computer code. Two calcium carbonate structures which occur naturally in anhydrous crystalline forms, calcite and aragonite, were considered in the present investigation. The obtained diagrams of density of states show similar patterns for both materials. The spatial structures are computed and analyzed in comparison to the available experimental data. The electronic properties and atomic displacements because of the trace element Sr-incorporation are discussed in a comparative manner for the two crystalline structures.

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Section: Resultssupporting

confidence: 90%

Electronic structure, chemical bonding, and geometry of pure and Sr‐doped CaCO₃

Stashans¹,

Chamba²,

Pinto³

2007

J Comput Chem

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“…[7] The first value arises from adventitious elemental carbon, [8,9] the latter two values suggest the presence of a carbonate species. [8] This assumption is supported by the IR spectrum of TiO 2 -C1b which exhibits low-intensity peaks at 1738, 1096, and 798 cm À1 which are indicative for the carbonate ion.…”

Section: Shanmugasundaram Sakthivel and Horst Kisch* In Memory Of Diementioning

confidence: 99%

Daylight Photocatalysis by Carbon‐Modified Titanium Dioxide

2003

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“…Blanchard and Baer, [16] as well as Gopinath et al [21] had measured the photoemission core levels of natural calcite. Significant alteration in binding energies were observed between the results of this and other studies, which is probably due to different methods used for charge correction, namely referencing to C 1s of carbon contamination, [21,22] C 1s in CO 3 carbon, [16] Au 4f 7/2 , [18,23] or Ca 2p 3/2 , which was used in this work. For all samples used in this study, the C 1s core level of calcium carbonate appeared at 289.0 AE 0.1 eV, i.e.…”

Section: Spectroscopymentioning

confidence: 99%

XPS and SEM study of calcite bearing rock powders in the case of reactivity measurement with HCl solution

Järvinen

Leiro

Bjondahl

et al. 2011

Surface & Interface Analysis

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The dissolution of seven natural limestones and calcareous rocks in hydrochloric acid solution was examined to investigate their capability for wet flue gas desulphurisation. All samples were crushed, ground and sieved to a size-fraction of 150-250 mm. Thereafter they were subjected to a dissolution experiment utilising stepwise titration with hydrochloric acid. The dissolution rates of three calcareous rocks were found to be controlled by reaction kinetics, while the limestones showed mass transfer control. The surface characterisation was implemented before and after dissolution experiments using X-ray photoelectron spectroscopy and scanning electron microscopy. Additional characterisation was carried out with X-ray diffraction, X-ray fluorescence and polarizing microscope. Initial reactivities have been shown to decrease in the order limestone, calcareous rock with high calcium concentration, calcareous rock with low calcium concentration. Coarse grain structure is proposed to decrease the initial reactivity.

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Photoemission studies of polymorphic CaCO3 materials

Cited by 141 publications

References 13 publications

Electronic structure, chemical bonding, and geometry of pure and Sr‐doped CaCO₃

Electronic structure, chemical bonding, and geometry of pure and Sr‐doped CaCO₃

Daylight Photocatalysis by Carbon‐Modified Titanium Dioxide

XPS and SEM study of calcite bearing rock powders in the case of reactivity measurement with HCl solution

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Photoemission studies of polymorphic CaCO3 materials

Cited by 141 publications

References 13 publications

Electronic structure, chemical bonding, and geometry of pure and Sr‐doped CaCO3

Electronic structure, chemical bonding, and geometry of pure and Sr‐doped CaCO3

Daylight Photocatalysis by Carbon‐Modified Titanium Dioxide

XPS and SEM study of calcite bearing rock powders in the case of reactivity measurement with HCl solution

Contact Info

Product

Resources

About

Electronic structure, chemical bonding, and geometry of pure and Sr‐doped CaCO₃

Electronic structure, chemical bonding, and geometry of pure and Sr‐doped CaCO₃