Electronic Principles of Hydrogen Incorporation and Dynamics in Metal Hydrides
2012
Authors
Ivanović, NenadNovaković, Nikola
Radisavljević, Ivana
Matović, Ljiljana
Grbović-Novaković, Jasmina
Article (Published version)
Metadata
Show full item recordAbstract
An approach to various metal hydrides based on electronic principles is presented. The effective medium theory ( EMT) is used to illustrate fundamental aspects of metal-hydrogen interaction and clarify the most important processes taking place during the interaction. The elaboration is extended using the numerous existing results of experiment and calculations, as well as using some new material. In particular, the absorption/desorption of H in the Mg/MgH2 system is analyzed in detail, and all relevant initial structures and processes explained. Reasons for the high stability and slow sorption in this system are noted, and possible solutions proposed. The role of the transition-metal impurities in MgH2 is briefly discussed, and some interesting phenomena, observed in complex intermetallic compounds, are mentioned. The principle mechanism governing the Li-amide/imide transformation is also discussed. Latterly, some perspectives for the metal-hydrides investigation from the electronic po...int of view are elucidated.
Keywords:
hydrogen storage / metal hydrides / MgH2 / complex hydrides / Li-amide/imide / electronic structure / ab initio calculations / DFT / sorption kinetics / catalystsSource:
Crystals, 2012, 2, 3, 1261-1282Funding / projects:
- Synthesis, processing and characterization of nanostructured materials for application in the field of energy, mechanical engineering, environmental protection and biomedicine (RS-MESTD-Integrated and Interdisciplinary Research (IIR or III)-45012)
DOI: 10.3390/cryst2031261
ISSN: 2073-4352
WoS: 000209341400033
Scopus: 2-s2.0-84901355286
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VinčaTY - JOUR AU - Ivanović, Nenad AU - Novaković, Nikola AU - Radisavljević, Ivana AU - Matović, Ljiljana AU - Grbović-Novaković, Jasmina PY - 2012 UR - https://vinar.vin.bg.ac.rs/handle/123456789/2739 AB - An approach to various metal hydrides based on electronic principles is presented. The effective medium theory ( EMT) is used to illustrate fundamental aspects of metal-hydrogen interaction and clarify the most important processes taking place during the interaction. The elaboration is extended using the numerous existing results of experiment and calculations, as well as using some new material. In particular, the absorption/desorption of H in the Mg/MgH2 system is analyzed in detail, and all relevant initial structures and processes explained. Reasons for the high stability and slow sorption in this system are noted, and possible solutions proposed. The role of the transition-metal impurities in MgH2 is briefly discussed, and some interesting phenomena, observed in complex intermetallic compounds, are mentioned. The principle mechanism governing the Li-amide/imide transformation is also discussed. Latterly, some perspectives for the metal-hydrides investigation from the electronic point of view are elucidated. T2 - Crystals T1 - Electronic Principles of Hydrogen Incorporation and Dynamics in Metal Hydrides VL - 2 IS - 3 SP - 1261 EP - 1282 DO - 10.3390/cryst2031261 ER -
@article{ author = "Ivanović, Nenad and Novaković, Nikola and Radisavljević, Ivana and Matović, Ljiljana and Grbović-Novaković, Jasmina", year = "2012", abstract = "An approach to various metal hydrides based on electronic principles is presented. The effective medium theory ( EMT) is used to illustrate fundamental aspects of metal-hydrogen interaction and clarify the most important processes taking place during the interaction. The elaboration is extended using the numerous existing results of experiment and calculations, as well as using some new material. In particular, the absorption/desorption of H in the Mg/MgH2 system is analyzed in detail, and all relevant initial structures and processes explained. Reasons for the high stability and slow sorption in this system are noted, and possible solutions proposed. The role of the transition-metal impurities in MgH2 is briefly discussed, and some interesting phenomena, observed in complex intermetallic compounds, are mentioned. The principle mechanism governing the Li-amide/imide transformation is also discussed. Latterly, some perspectives for the metal-hydrides investigation from the electronic point of view are elucidated.", journal = "Crystals", title = "Electronic Principles of Hydrogen Incorporation and Dynamics in Metal Hydrides", volume = "2", number = "3", pages = "1261-1282", doi = "10.3390/cryst2031261" }
Ivanović, N., Novaković, N., Radisavljević, I., Matović, L.,& Grbović-Novaković, J.. (2012). Electronic Principles of Hydrogen Incorporation and Dynamics in Metal Hydrides. in Crystals, 2(3), 1261-1282. https://doi.org/10.3390/cryst2031261
Ivanović N, Novaković N, Radisavljević I, Matović L, Grbović-Novaković J. Electronic Principles of Hydrogen Incorporation and Dynamics in Metal Hydrides. in Crystals. 2012;2(3):1261-1282. doi:10.3390/cryst2031261 .
Ivanović, Nenad, Novaković, Nikola, Radisavljević, Ivana, Matović, Ljiljana, Grbović-Novaković, Jasmina, "Electronic Principles of Hydrogen Incorporation and Dynamics in Metal Hydrides" in Crystals, 2, no. 3 (2012):1261-1282, https://doi.org/10.3390/cryst2031261 . .