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Progress in the Characterization of the Surface Species in Activated Carbons by means of INS Spectroscopy Coupled with Detailed DFT Calculations
Joint Authors
Piovano, Andrea
Lazzarini, Andrea
Pellegrini, Riccardo
Leofanti, Giuseppe
Agostini, Giovanni
Rudić, Svemir
Bugaev, Aram L.
Lamberti, Carlo
Groppo, Elena
Source
Advances in Condensed Matter Physics
Issue
Vol. 2015, Issue 2015 (31 Dec. 2015), pp.1-8, 8 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2015-09-17
Country of Publication
Egypt
No. of Pages
8
Main Subjects
Abstract EN
Activated carbons are materials with relevance in different industrial applications.
Due to the inherent complexity and heterogeneity of their structures, an easy assignment of the species present on their surface has a challenging result.
Only recently, with the possibility to collect well-resolved inelastic neutron spectra and to simulate by DFT methods more or less extended graphitic clusters, this task is starting to become feasible.
Here we report our investigation on a steam activated carbon and we show that different vibrations in the region of out-of-plane C-H bending modes are specifically connected to hydrogen terminations belonging to extended and regular borders or to short and defective ones.
Furthermore, simulations including heteroatoms such as oxygen allowed us to point out spectral regions with a contribution from carboxyl species.
American Psychological Association (APA)
Piovano, Andrea& Lazzarini, Andrea& Pellegrini, Riccardo& Leofanti, Giuseppe& Agostini, Giovanni& Rudić, Svemir…[et al.]. 2015. Progress in the Characterization of the Surface Species in Activated Carbons by means of INS Spectroscopy Coupled with Detailed DFT Calculations. Advances in Condensed Matter Physics،Vol. 2015, no. 2015, pp.1-8.
https://search.emarefa.net/detail/BIM-1052314
Modern Language Association (MLA)
Piovano, Andrea…[et al.]. Progress in the Characterization of the Surface Species in Activated Carbons by means of INS Spectroscopy Coupled with Detailed DFT Calculations. Advances in Condensed Matter Physics No. 2015 (2015), pp.1-8.
https://search.emarefa.net/detail/BIM-1052314
American Medical Association (AMA)
Piovano, Andrea& Lazzarini, Andrea& Pellegrini, Riccardo& Leofanti, Giuseppe& Agostini, Giovanni& Rudić, Svemir…[et al.]. Progress in the Characterization of the Surface Species in Activated Carbons by means of INS Spectroscopy Coupled with Detailed DFT Calculations. Advances in Condensed Matter Physics. 2015. Vol. 2015, no. 2015, pp.1-8.
https://search.emarefa.net/detail/BIM-1052314
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-1052314