IDEAS home Printed from https://ideas.repec.org/a/eee/energy/v49y2013icp469-474.html
   My bibliography  Save this article

Multi-functionalized naphthalene complexes for hydrogen storage

Author

Listed:
  • Kalamse, Vijayanand
  • Wadnerkar, Nitin
  • Chaudhari, Ajay

Abstract

A density functional study of hydrogen uptake capacity of multi-functionalized naphthalene with Ti and Li metal atom has been carried out. It is observed that, the naphthalene functionalized with two Ti atoms can interact with total eight hydrogen molecules in which each Ti metal atom interacts with four hydrogen molecules. Naphthalene decorated with two Li atoms can interact with total three H2 molecules only. First (19Li) and second (20Li) Li atom can interact with only one and two hydrogen molecule respectively. It is observed that, hydrogen molecules bind strongly to the C10H8Ti2 complex than C10H8Li2 complex. The gravimetric hydrogen uptake capacity of C10H8Ti2 and C10H8Li2 complex is found to be 6.72 and 3.73 wt% respectively. Moreover, after functionalizing naphthalene with four Li atoms, the uptake capacity is increased to 7.20 wt %. However, the thermochemistry result favors to Ti functionalized naphthalene complex (C10H8Ti2) for hydrogen storage over Li functionalized naphthalene (both C10H8Li2 and C10H8Li4) complexes. Atom-centered density matrix propagation (ADMP) molecular dynamics simulations have been performed which showed that C10H8Li2 and C10H8Li4 complex cannot bind single hydrogen molecule at room temperature whereas C10H8Ti2 can bind five hydrogen molecules.

Suggested Citation

  • Kalamse, Vijayanand & Wadnerkar, Nitin & Chaudhari, Ajay, 2013. "Multi-functionalized naphthalene complexes for hydrogen storage," Energy, Elsevier, vol. 49(C), pages 469-474.
    • Handle: RePEc:eee:energy:v:49:y:2013:i:c:p:469-474
    DOI: 10.1016/j.energy.2012.11.018
    as

    Download full text from publisher

    File URL: http://www.sciencedirect.com/science/article/pii/S0360544212008791
    Download Restriction: Full text for ScienceDirect subscribers only
    File URL: https://libkey.io/10.1016/j.energy.2012.11.018?utm_source=ideas
    LibKey link: if access is restricted and if your library uses this service, LibKey will redirect you to where you can use your library subscription to access this item
    ---><---

    As the access to this document is restricted, you may want to search for a different version of it.

    References listed on IDEAS

    as
    1. Fernandes, D. & Pitié, F. & Cáceres, G. & Baeyens, J., 2012. "Thermal energy storage: “How previous findings determine current research priorities”," Energy, Elsevier, vol. 39(1), pages 246-257.
    2. Chung, Kyong-Hwan, 2010. "High-pressure hydrogen storage on microporous zeolites with varying pore properties," Energy, Elsevier, vol. 35(5), pages 2235-2241.
    3. Berry, Gene D. & Pasternak, Alan D. & Rambach, Glenn D. & Ray Smith, J. & Schock, Robert N., 1996. "Hydrogen as a future transportation fuel," Energy, Elsevier, vol. 21(4), pages 289-303.
    4. Fan, Mei-Qiang & Liu, Shu-sheng & Zhang, Yao & Zhang, Jian & Sun, Li-Xian & Xu, Fen, 2010. "Superior hydrogen storage properties of MgH2–10 wt.% TiC composite," Energy, Elsevier, vol. 35(8), pages 3417-3421.
    5. Avril, S. & Arnaud, G. & Florentin, A. & Vinard, M., 2010. "Multi-objective optimization of batteries and hydrogen storage technologies for remote photovoltaic systems," Energy, Elsevier, vol. 35(12), pages 5300-5308.
    6. Carton, J.G. & Olabi, A.G., 2010. "Wind/hydrogen hybrid systems: Opportunity for Ireland’s wind resource to provide consistent sustainable energy supply," Energy, Elsevier, vol. 35(12), pages 4536-4544.
    7. Principi, G. & Agresti, F. & Maddalena, A. & Lo Russo, S., 2009. "The problem of solid state hydrogen storage," Energy, Elsevier, vol. 34(12), pages 2087-2091.
    Full references (including those not matched with items on IDEAS)

    Citations

    Citations are extracted by the CitEc Project, subscribe to its RSS feed for this item.
    as


    Cited by:

    1. Ma, Li-Juan & Wang, Jianfeng & Han, Min & Jia, Jianfeng & Wu, Hai-Shun & Zhang, Xiang, 2019. "Adsorption of multiple H2 molecules on the complex TiC6H6: An unusual combination of chemisorption and physisorption," Energy, Elsevier, vol. 171(C), pages 315-325.
    2. Wang, Kai & Li, Liwei & Zhang, Tiezhu & Liu, Zaifei, 2014. "Nitrogen-doped graphene for supercapacitor with long-term electrochemical stability," Energy, Elsevier, vol. 70(C), pages 612-617.
    3. Sreedhar, I. & Kamani, Krutarth M. & Kamani, Bansi M. & Reddy, Benjaram M. & Venugopal, A., 2018. "A Bird's Eye view on process and engineering aspects of hydrogen storage," Renewable and Sustainable Energy Reviews, Elsevier, vol. 91(C), pages 838-860.

    Most related items

    These are the items that most often cite the same works as this one and are cited by the same works as this one.
    1. Ma, Li-Juan & Wang, Jianfeng & Han, Min & Jia, Jianfeng & Wu, Hai-Shun & Zhang, Xiang, 2019. "Adsorption of multiple H2 molecules on the complex TiC6H6: An unusual combination of chemisorption and physisorption," Energy, Elsevier, vol. 171(C), pages 315-325.
    2. Kou, Huaqin & Luo, Wenhua & Huang, Zhiyong & Sang, Ge & Meng, Daqiao & Zhang, Guanghui & Chen, Changan & Luo, Deli & Hu, Changwen, 2015. "Fabrication and experimental validation of a full-scale depleted uranium bed with thin double-layered annulus configuration for hydrogen isotopes recovery and delivery," Energy, Elsevier, vol. 90(P1), pages 588-594.
    3. Sun, Qian & Zou, Meishuai & Guo, Xiaoyan & Yang, Rongjie & Huang, Haitao & Huang, Peng & He, Xiangdong, 2015. "A study of hydrogen generation by reaction of an activated Mg–CoCl2 (magnesium–cobalt chloride) composite with pure water for portable applications," Energy, Elsevier, vol. 79(C), pages 310-314.
    4. Fan, Mei-Qiang & Liu, Shu-sheng & Zhang, Yao & Zhang, Jian & Sun, Li-Xian & Xu, Fen, 2010. "Superior hydrogen storage properties of MgH2–10 wt.% TiC composite," Energy, Elsevier, vol. 35(8), pages 3417-3421.
    5. Pukazhselvan, D. & Hudson, M. Sterlin Leo & Sinha, A.S.K. & Srivastava, O.N., 2010. "Studies on metal oxide nanoparticles catalyzed sodium aluminum hydride," Energy, Elsevier, vol. 35(12), pages 5037-5042.
    6. El-Eskandarany, M. Sherif & Al-Matrouk, H. & Shaban, Ehab & Al-Duweesh, Ahmed, 2015. "Superior catalytic effect of nanocrystalline big-cube Zr2Ni metastable phase for improving the hydrogen sorption/desorption kinetics and cyclability of MgH2 powders," Energy, Elsevier, vol. 91(C), pages 274-282.
    7. Ismail, M., 2015. "Effect of LaCl3 addition on the hydrogen storage properties of MgH2," Energy, Elsevier, vol. 79(C), pages 177-182.
    8. Ding, Xiangqian & Zhu, Yunfeng & Wei, Lingjun & Li, Ying & Li, Liquan, 2013. "Synergistic hydrogen desorption of HCS MgH2 + LiAlH4 composite," Energy, Elsevier, vol. 55(C), pages 933-938.
    9. Zhang, Wei & Cheng, Ying & Han, Da & Han, Shumin, 2015. "The hydrogen storage properties of MgH2–Fe3S4 composites," Energy, Elsevier, vol. 93(P1), pages 625-630.
    10. El-Eskandarany, M. Sherif & Shaban, Ehab & Alsairafi, Ammar A., 2016. "Synergistic dosing effect of TiC/FeCr nanocatalysts on the hydrogenation/dehydrogenation kinetics of nanocrystalline MgH2 powders," Energy, Elsevier, vol. 104(C), pages 158-170.
    11. Pedicini, R. & Schiavo, B. & Rispoli, P. & Saccà, A. & Carbone, A. & Gatto, I. & Passalacqua, E., 2014. "Progress in polymeric material for hydrogen storage application in middle conditions," Energy, Elsevier, vol. 64(C), pages 607-614.
    12. Hassan, I.A. & Ramadan, Haitham S. & Saleh, Mohamed A. & Hissel, Daniel, 2021. "Hydrogen storage technologies for stationary and mobile applications: Review, analysis and perspectives," Renewable and Sustainable Energy Reviews, Elsevier, vol. 149(C).
    13. Huang, Ton-Churo & Leu, Yih-Guang & Chang, Yuan-Chang & Hou, Sheng-Yun & Li, Cheng-Chou, 2013. "An energy harvester using self-powered feed forward converter charging approach," Energy, Elsevier, vol. 55(C), pages 769-777.
    14. Öz, Çisem & Coşkuner Filiz, Bilge & Kantürk Figen, Aysel, 2017. "The effect of vinegar–acetic acid solution on the hydrogen generation performance of mechanochemically modified Magnesium (Mg) granules," Energy, Elsevier, vol. 127(C), pages 328-334.
    15. Enevoldsen, Peter & Sovacool, Benjamin K., 2016. "Integrating power systems for remote island energy supply: Lessons from Mykines, Faroe Islands," Renewable Energy, Elsevier, vol. 85(C), pages 642-648.
    16. Hunt, Julian David & Nascimento, Andreas & Zakeri, Behnam & Barbosa, Paulo Sérgio Franco, 2022. "Hydrogen Deep Ocean Link: a global sustainable interconnected energy grid," Energy, Elsevier, vol. 249(C).
    17. Luo, Yu & Shi, Yixiang & Li, Wenying & Cai, Ningsheng, 2014. "Comprehensive modeling of tubular solid oxide electrolysis cell for co-electrolysis of steam and carbon dioxide," Energy, Elsevier, vol. 70(C), pages 420-434.
    18. Yilmaz, Ceyhun & Kanoglu, Mehmet, 2014. "Thermodynamic evaluation of geothermal energy powered hydrogen production by PEM water electrolysis," Energy, Elsevier, vol. 69(C), pages 592-602.
    19. Beata Pytlik & Daniel Smykowski & Piotr Szulc, 2022. "The Impact of Baffle Geometry in the PCM Heat Storage Unit on the Charging Process with High and Low Water Streams," Energies, MDPI, vol. 15(24), pages 1-17, December.
    20. Zhang, Yue & Zhang, Qi & Farnoosh, Arash & Chen, Siyuan & Li, Yan, 2019. "GIS-Based Multi-Objective Particle Swarm Optimization of charging stations for electric vehicles," Energy, Elsevier, vol. 169(C), pages 844-853.

    Corrections

    All material on this site has been provided by the respective publishers and authors. You can help correct errors and omissions. When requesting a correction, please mention this item's handle: RePEc:eee:energy:v:49:y:2013:i:c:p:469-474. See general information about how to correct material in RePEc.

    If you have authored this item and are not yet registered with RePEc, we encourage you to do it here. This allows to link your profile to this item. It also allows you to accept potential citations to this item that we are uncertain about.

    If CitEc recognized a bibliographic reference but did not link an item in RePEc to it, you can help with this form .

    If you know of missing items citing this one, you can help us creating those links by adding the relevant references in the same way as above, for each refering item. If you are a registered author of this item, you may also want to check the "citations" tab in your RePEc Author Service profile, as there may be some citations waiting for confirmation.

    For technical questions regarding this item, or to correct its authors, title, abstract, bibliographic or download information, contact: Catherine Liu (email available below). General contact details of provider: http://www.journals.elsevier.com/energy .

    Please note that corrections may take a couple of weeks to filter through the various RePEc services.

    IDEAS is a RePEc service. RePEc uses bibliographic data supplied by the respective publishers.