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Fast MAS 1H NMR Study of Water Adsorption and Dissociation on the (100) Surface of Ceria Nanocubes: A Fully Hydroxylated, Hydrophobic Ceria Surface
Fast MAS 1H NMR Study of Water Adsorption and Dissociation on the (100) Surface of Ceria Nanocubes: A Fully Hydroxylated, Hydrophobic Ceria Surface
- Source :
- The Journal of Physical Chemistry C. 121:7450-7465
- Publication Year :
- 2017
- Publisher :
- American Chemical Society (ACS), 2017.
-
Abstract
- 1H nuclear magnetic resonance (NMR) spectroscopy was used to study hydroxylic surface species on ceria nanocubes, a crystalline, high-surface-area CeO2 that presents mostly (100) facets. Water adsorption and desorption experiments in combination with fast magic angle spinning (MAS, 20–40 kHz) 1H NMR provide high-resolution 1H spectra that allow the observation of ten resonance bands (water or hydroxyl) on or under the (100) surface. Assignments were made using a combination of adsorption and temperature-programmed desorption, quantitative spin counting, deuterium exchange, spin–lattice (T1) and spin–spin (T2) relaxation, and DFT calculations. In air, the (100) surface exists as a fully hydroxylated surface. Water adsorption and dissociation on dry ceria surfaces occur first at oxygen vacancies, but Ce3+ centers are not required since water dissociation is barrier-less on the fully oxidized surface. Surface −OH functionality occurs in two resolved bands representing isolated −OH (1 ppm) and hydrogen-bonded...
- Subjects :
- Analytical chemistry
chemistry.chemical_element
02 engineering and technology
010402 general chemistry
021001 nanoscience & nanotechnology
01 natural sciences
Oxygen
Dissociation (chemistry)
0104 chemical sciences
Surfaces, Coatings and Films
Electronic, Optical and Magnetic Materials
General Energy
Adsorption
chemistry
Desorption
Magic angle spinning
Proton NMR
Hydrogen–deuterium exchange
Physical and Theoretical Chemistry
0210 nano-technology
Spectroscopy
Subjects
Details
- ISSN :
- 19327455 and 19327447
- Volume :
- 121
- Database :
- OpenAIRE
- Journal :
- The Journal of Physical Chemistry C
- Accession number :
- edsair.doi...........0e9a387373b7deb71bfe994369241bf9
- Full Text :
- https://doi.org/10.1021/acs.jpcc.6b12375