Computationally Supported Neutron Scattering Study of Natural and Synthetic Amorphous Carbons
| Autor: | V. A. Popova, Vadim V. Kim, K. Hołderna-Natkaniec, Ireneusz Natkaniec, Elena F. Sheka, Nadezhda A. Popova, Yevgeny A. Golubev, Jan Krawczyk, N. N. Rozhkova |
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| Rok vydání: | 2019 |
| Předmět: |
Materials science
Hydrogen Graphene Analytical chemistry chemistry.chemical_element 02 engineering and technology Neutron scattering 010402 general chemistry 021001 nanoscience & nanotechnology 01 natural sciences Shungite Inelastic neutron scattering 0104 chemical sciences Surfaces Coatings and Films Electronic Optical and Magnetic Materials law.invention Amorphous solid General Energy chemistry law Monolayer Molecule Physical and Theoretical Chemistry 0210 nano-technology |
| Zdroj: | The Journal of Physical Chemistry C. 123:15841-15850 |
| ISSN: | 1932-7455 1932-7447 |
| DOI: | 10.1021/acs.jpcc.9b03675 |
| Popis: | Neutron powder diffraction and inelastic neutron scattering (INS) were used to determine the structure and hydrogen content of basic structure units (BSUs) of sp2 amorphous carbons at the atomic level. A comparative study of two natural (shungite carbon and antraxolite) and two synthetic (carbon blacks) species of the highest-rank carbonization revealed nanosize stack structure of all samples. The stacks are formed by BSUs representing framed graphene molecules (graphene oxyhydrides) of ∼2.5 nm lateral dimension. The INS study showed the presence of hydrogen atoms in the BSU framing area as well as of adsorbed water in the sample pores configured by BSU stacks. Simulated INS spectra of adsorbed water showed its monolayer disposition within the pores. BSU INS spectra were simulated for a set of particular models simulating H-standard features of the INS spectra of graphene-based species, in general, and BSU hydrogen component of the studied samples, in particular. Simulations were performed in the framewor... |
| Databáze: | OpenAIRE |
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