Year 2016, Volume 2 , Issue 1, Pages 1 - 7 2016-03-23

H2-Anion Interactions and Energy Calculations for Imidazolium-based Ionic Liquids as Hydrogen Storage Materials

Mustafa Karakaya [1] , Fatih Ucun [2]


The aims of this study are to explore the molecular hydrogen-anion interactions and assess the energy calculations in imidazolium-based compounds. The stable modes were structurally discussed after the achieving optimizations by density functional theory. It is concluded that the interaction energies were very weak against the strong interaction lengths. The impacts of the loaded molecular hydrogen to the imidazolium-based structure were discussed by the frontier molecular orbital analysis. While the amounts of H2 involved to the interaction increased, the changes in the energy gap were calculated. The bonding interactions on the cation–anion and molecular nH2–anion were compared.
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Journal Section Articles
Authors

Author: Mustafa Karakaya

Author: Fatih Ucun

Dates

Publication Date : March 23, 2016

Bibtex @ { ijet272255, journal = {International Journal of Engineering Technologies IJET}, issn = {2149-0104}, eissn = {2149-5262}, address = {}, publisher = {İstanbul Gelisim University}, year = {2016}, volume = {2}, pages = {1 - 7}, doi = {10.19072/ijet.56145}, title = {H2-Anion Interactions and Energy Calculations for Imidazolium-based Ionic Liquids as Hydrogen Storage Materials}, key = {cite}, author = {Karakaya, Mustafa and Ucun, Fatih} }
APA Karakaya, M , Ucun, F . (2016). H2-Anion Interactions and Energy Calculations for Imidazolium-based Ionic Liquids as Hydrogen Storage Materials . International Journal of Engineering Technologies IJET , 2 (1) , 1-7 . DOI: 10.19072/ijet.56145
MLA Karakaya, M , Ucun, F . "H2-Anion Interactions and Energy Calculations for Imidazolium-based Ionic Liquids as Hydrogen Storage Materials" . International Journal of Engineering Technologies IJET 2 (2016 ): 1-7 <https://dergipark.org.tr/en/pub/ijet/issue/25818/272255>
Chicago Karakaya, M , Ucun, F . "H2-Anion Interactions and Energy Calculations for Imidazolium-based Ionic Liquids as Hydrogen Storage Materials". International Journal of Engineering Technologies IJET 2 (2016 ): 1-7
RIS TY - JOUR T1 - H2-Anion Interactions and Energy Calculations for Imidazolium-based Ionic Liquids as Hydrogen Storage Materials AU - Mustafa Karakaya , Fatih Ucun Y1 - 2016 PY - 2016 N1 - doi: 10.19072/ijet.56145 DO - 10.19072/ijet.56145 T2 - International Journal of Engineering Technologies IJET JF - Journal JO - JOR SP - 1 EP - 7 VL - 2 IS - 1 SN - 2149-0104-2149-5262 M3 - doi: 10.19072/ijet.56145 UR - https://doi.org/10.19072/ijet.56145 Y2 - 2020 ER -
EndNote %0 International Journal of Engineering Technologies H2-Anion Interactions and Energy Calculations for Imidazolium-based Ionic Liquids as Hydrogen Storage Materials %A Mustafa Karakaya , Fatih Ucun %T H2-Anion Interactions and Energy Calculations for Imidazolium-based Ionic Liquids as Hydrogen Storage Materials %D 2016 %J International Journal of Engineering Technologies IJET %P 2149-0104-2149-5262 %V 2 %N 1 %R doi: 10.19072/ijet.56145 %U 10.19072/ijet.56145
ISNAD Karakaya, Mustafa , Ucun, Fatih . "H2-Anion Interactions and Energy Calculations for Imidazolium-based Ionic Liquids as Hydrogen Storage Materials". International Journal of Engineering Technologies IJET 2 / 1 (March 2016): 1-7 . https://doi.org/10.19072/ijet.56145
AMA Karakaya M , Ucun F . H2-Anion Interactions and Energy Calculations for Imidazolium-based Ionic Liquids as Hydrogen Storage Materials. IJET. 2016; 2(1): 1-7.
Vancouver Karakaya M , Ucun F . H2-Anion Interactions and Energy Calculations for Imidazolium-based Ionic Liquids as Hydrogen Storage Materials. International Journal of Engineering Technologies IJET. 2016; 2(1): 1-7.