FTIR‐Spektroskopie im Ultrahochvakuum: Messung an TiO2‐Pulver

Stammer, Xia; Heißler, Stefan

doi:10.1002/nadc.201390285

Cited by 2 publications

(2 citation statements)

References 15 publications

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“…All infrared experiments were performed in a multi-technique ultrahigh vacuum (UHV) apparatus (Prevac, Poland). A more comprehensive description of the experimental setup can be found elsewhere . First, 4-5 mg of the tobermorite powder was weighted.…”

Section: Methodsmentioning

confidence: 99%

Unexpected Chemical Activity of a Mineral Surface: The Role of Crystal Water in Tobermorite

et al. 2022

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The most prominent phase of hydrated cement paste, as a model for calcium silicate hydrate (CSH) gel, is tobermorite with varying Ca/Si ratios. In the present work, carbon monoxide (CO) gas is introduced onto the surface of tobermorite at 62 K. The experimental results from infrared spectroscopy reveal a chemical reaction of CO with tobermorite, leading to the formation of carbonate (CO3 2–), which is adsorbed on the surface. This chemical reaction is driven by the dissociation of crystal water incorporated in the tobermorite structure. In infrared spectroscopy, the saturation of this carbonate growth process is revealed by the adsorption of unreacted CO molecules sticking to the surface of the fresh CaCO3. Interestingly, the decomposition process performed by heating the system leads to CO2 emission rather than CO. Our results are underlined by density functional theory calculations that bring out the high significance of interlayer water.

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Section: Methodsmentioning

confidence: 99%

Unexpected Chemical Activity of a Mineral Surface: The Role of Crystal Water in Tobermorite

et al. 2022

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“…Structural defects in solids have a well‐established role in enhancing and controlling the properties of materials, most notably in heterogeneous catalysis and band‐gap tuning of semiconductors 1–5. The characterization of such defects has involved a combination of techniques such as electron6 and fluorescence microscopy,7 Raman,8 infrared,9 and X‐ray photoelectron spectroscopy,10 powder X‐ray diffraction combined with density functional theory calculations,11 and single‐crystal X‐ray diffraction (SXRD) 12. 13 Metal‐organic frameworks (MOFs) in which metal oxide hubs are joined by organic linkers to make porous structures are increasingly found to have defective structures by virtue of missing linkers 14–17.…”

Section: Crystallographic Data For Uio‐66 Measured In the Environmentmentioning

confidence: 99%

Definitive Molecular Level Characterization of Defects in UiO‐66 Crystals

et al. 2015

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The identification and characterization of defects, on the molecular level, in metal‐organic frameworks (MOFs) remain a challenge. With the extensive use of single‐crystal X‐ray diffraction (SXRD), the missing linker defects in the zirconium‐based MOF UiO‐66, Zr6O4(OH)4(C8H4O4)6, have been identified as water molecules coordinated directly to the zirconium centers. Charge balancing is achieved by hydroxide anions, which are hydrogen bonded within the pores of the framework. Furthermore, the precise nature of the defects and their concentration can be manipulated by altering the starting materials, synthesis conditions, and post‐synthetic modifications.

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FTIR‐Spektroskopie im Ultrahochvakuum: Messung an TiO2‐Pulver

Cited by 2 publications

References 15 publications

Unexpected Chemical Activity of a Mineral Surface: The Role of Crystal Water in Tobermorite

Unexpected Chemical Activity of a Mineral Surface: The Role of Crystal Water in Tobermorite

Definitive Molecular Level Characterization of Defects in UiO‐66 Crystals

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