Calcite surface structure observed at microtopographic and molecular scales with atomic force microscopy (AFM)

Stipp, S. L. S.; Eggleston, Carrick M.; Nielsen, B.S.

doi:10.1016/0016-7037(94)90176-7

Cited by 253 publications

(191 citation statements)

References 23 publications

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“…These images, taken in 'contact' mode, of the calcite surface in solution found there appeared to be a slight 'pairing' between rows. Rows were expected to be evenly spaced, but appeared to pair-up, so that two rows were close together and then there was a significant gap before the next row [45]. In this pair one row is higher than the other.…”

Section: Experimental Studiesmentioning

confidence: 99%

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Investigation of the Interaction of Water with the Calcite (10.4) Surface Using Ab Initio Simulation

2009

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Density functional theory calculations were employed to explore the interaction between water and the {1014} surface of calcite. In addition a defective {1014} surface and stepped surfaces in contact with water were investigated. A series of percentage water coverages and water configurations were explored, including dissociated water states. Static relaxations found associated water to be favourable on the {1014} surface, although a metastable dissociated state 1.77eV higher in energy was found.Molecular dynamics (MD) simulations of low water coverage reveal fluctuations in the H-O water bond when the H atom is directed towards a surface CO 3 ion. Desorption of an H 2 O molecule was observed in simulations above 900K. Water was found to be strongly bound to the perfect {1014} surface, with an adsorption energy of -0.91eV. MD simulations of a defective {1014} surface found water to favour dissociation at CO 3 vacancies. However, water at Ca vacancies diffused across the surface to form a bond with the nearest surface Ca ion. Water was also found to favour an associated state at both acute and obtuse steps. On all these imperfect surfaces water was found to adsorb strongly to the surface, with adsorption energies ranging from -0.99eV to -1.60eV.

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Section: Experimental Studiesmentioning

confidence: 99%

“…AFM images, in 'contact' mode, of calcite surfaces in solution showed that on initial contact with water, small etch pits formed within seconds [45]. As the sample continued to be imaged the pits became broad and flat-bottomed.…”

Section: Dissolution Processesmentioning

confidence: 99%

Investigation of the Interaction of Water with the Calcite (10.4) Surface Using Ab Initio Simulation

2009

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“…In order to better understand the uptake of N 2 O 5 on solid CaCO 3 powder, we will briefly digress to the description of the chemical nature of a carbonate surface. From experimental and theoretical surface science studies, (De Leeuw and Parker, 1998;Kuriyavar et al, 2000;Stipp et al, 1994) there is clear evidence that under ambient conditions of pressure, temperature, and relative humidity, the surface of CaCO 3 is terminated by OH groups that persist even under ultrahigh vacuum conditions. The OH-terminated surface may be a result of the dissociative adsorption of water according to Reaction (R3):…”

Section: Experimental Set Up and Detectionmentioning

confidence: 99%

The heterogeneous chemical kinetics of N2O5 on CaCO3 and other atmospheric mineral dust surrogates

2006

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Abstract.Uptake experiments of N 2 O 5 on several mineral dust powder samples were carried out under continuous molecular flow conditions at 298±2 K. At [N 2 O 5 ] 0 =(4.0±1.0)×10 11 cm −3 we have found γ ss values ranging from (3.5±1.1)×10 −2 for CaCO 3 to (0.20±0.05) for Saharan Dust with γ ss decreasing as [N 2 O 5 ] 0 increased. The uptake coefficients reported in this work are to be regarded as upper limiting values owing to the fact that they are based on the geometric (projected) surface area of the mineral dust sample. We have observed delayed production of HNO 3 upon uptake of N 2 O 5 for every investigated sample owing to hydrolysis of N 2 O 5 with surface-adsorbed H 2 O. Arizona Test Dust and Kaolinite turned out to be the samples that generated the largest amount of gas phase HNO 3 with respect to N 2 O 5 taken up. In contrast, the yield of HNO 3 for Saharan Dust and CaCO 3 is lower. On CaCO 3 the disappearance of N 2 O 5 was also accompanied by the formation of CO 2 . For CaCO 3 sample masses ranging from 0.33 to 2.0 g, the yield of CO 2 was approximately 42-50% with respect to the total number of N 2 O 5 molecules taken up. The reaction of N 2 O 5 with mineral dust and the subsequent production of gas phase HNO 3 lead to a decrease in [NO x ] which may have a significant effect on global ozone.

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“…Calcite, CaCO 3 , growth and dissolution mechanisms in supersaturated and undersaturated solutions, respectively, have been elucidated on the atomic-scale using the AFM. [2][3][4][5][6][7] AFM analysis of crystal growth in the presence of inhibitors such as 1-hydroxyethylidene-1,1-diphosphonic acid(HEDPor etidronic acid) has also been reported. 8,9 The morphology of surface features on the (1014) cleavage plane of calcite is generally rhombic.…”

Section: Introductionmentioning

confidence: 99%

In-Situ Atomic Force Microscope Imaging of Calcite Etch Pit Morphology Changes in Undersaturated and 1-Hydroxyethylidene-1,1-diphosphonic Acid Poisoned Solutions

Britt

Hlady

1997

Langmuir

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Morphology changes in etch pits formed on the (1014) cleavage plane of calcite were induced by varying the ratio of [Ca 2+ ] to [CO 3 2− ] in the bulk solution as well as through the addition of the crystal poison 1-hydroxyethylidene-1,1-diphosphonic acid (HEDP). Three distinct morphologies were noted: symmetric rhombic, asymmetric rhombic, and triangular with a rough curved hypotenuse. The latter represents a transient morphology which is only observed during the actual dissolution process, while the former morphologies persist after dissolution is halted.

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Calcite surface structure observed at microtopographic and molecular scales with atomic force microscopy (AFM)

Cited by 253 publications

References 23 publications

Investigation of the Interaction of Water with the Calcite (10.4) Surface Using Ab Initio Simulation

Investigation of the Interaction of Water with the Calcite (10.4) Surface Using Ab Initio Simulation

The heterogeneous chemical kinetics of N<sub>2</sub>O<sub>5</sub> on CaCO<sub>3</sub> and other atmospheric mineral dust surrogates

In-Situ Atomic Force Microscope Imaging of Calcite Etch Pit Morphology Changes in Undersaturated and 1-Hydroxyethylidene-1,1-diphosphonic Acid Poisoned Solutions

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Calcite surface structure observed at microtopographic and molecular scales with atomic force microscopy (AFM)

Cited by 253 publications

References 23 publications

Investigation of the Interaction of Water with the Calcite (10.4) Surface Using Ab Initio Simulation

Investigation of the Interaction of Water with the Calcite (10.4) Surface Using Ab Initio Simulation

The heterogeneous chemical kinetics of N&lt;sub&gt;2&lt;/sub&gt;O&lt;sub&gt;5&lt;/sub&gt; on CaCO&lt;sub&gt;3&lt;/sub&gt; and other atmospheric mineral dust surrogates

In-Situ Atomic Force Microscope Imaging of Calcite Etch Pit Morphology Changes in Undersaturated and 1-Hydroxyethylidene-1,1-diphosphonic Acid Poisoned Solutions

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The heterogeneous chemical kinetics of N<sub>2</sub>O<sub>5</sub> on CaCO<sub>3</sub> and other atmospheric mineral dust surrogates