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2022 Vol.59, Issue 1 Preview Page

Research Paper

28 February 2022. pp. 21-30
Abstract
References
1
Andzelm, J. and Wimmer, E., 1992. Density functional Gaussian‐type‐orbital approach to molecular geometries, vibrations, and reaction energies, The Journal of Chemical Physics, 96(2), p.1280-1303. 10.1063/1.462165
2
Ball, M. and Wietschel, M., 2009. The future of hydrogen - opportunities and challenges, International Journal of Hydrogen Energy, 34(2), p.615-627. 10.1016/j.ijhydene.2008.11.014
3
Campbell, P.G., Zakharov, L.N., Grant, D.J., Dixon, D.A., and Liu, S.Y., 2010. Hydrogen Storage by Boron−Nitrogen Heterocycles: A Simple Route for Spent Fuel Regeneration, Journal of the American Chemical Society, 132(10), p.3289- 3291. 10.1021/ja910662220214402
4
Chen, G., Zakharov, L.N., Bowden, M.E., Karkamkar, A.J., Whittemore, S.M., Garner III, E.B., Mikulas, T.C., Dixon, D.A., Autrey, T., and Liu, S.Y., 2015. Bis-BN cyclohexane: a remarkably kinetically stable chemical hydrogen storage material, Journal of the American Chemical Society, 137(1), p.134-137. 10.1021/ja511766p25494531
5
Dresselhaus, M.S. and Thomas, I.L., 2001. Alternative energy technologies, Nature, 414(6861), p.332-337. 10.1038/3510459911713539
6
Durbin, D.J., and Malardier-Jugroot, C., 2013. Review of hydrogen storage techniques for on board vehicle applications, International Journal of Hydrogen Energy, 38(34), p.14595- 14617. 10.1016/j.ijhydene.2013.07.058
7
Forsberg, C.W., 2009. Sustainability by combining nuclear, fossil, and renewable energy sources, Progress in Nuclear Energy, 51(1), p.192-200. 10.1016/j.pnucene.2008.04.002
8
Frisch, M.J., Trucks, G.W., Schlegel, H.B., Scuseria, G.E., Robb, M.A., Cheeseman, J.R., Scalmani, G., Barone, V., Petersson, G.A., Nakatsuji, H., Li, X., Caricato, M., Marenich, A.V., Bloino, J., Janesko, B.G., Gomperts, R., Mennucci, B., Hratchian, H.P., Ortiz, J.V., Izmaylov, A.F., Sonnenberg, J.L., Williams, Ding, F., Lipparini, F., Egidi, F., Goings, J., Peng, B., Petrone, A., Henderson, T., Ranasinghe, D., Zakrzewski, V.G., Gao, J., Rega, N., Zheng, G., Liang, W., Hada, M., Ehara, M., Toyota, K., Fukuda, R., Hasegawa, J., Ishida, M., Nakajima, T., Honda, Y., Kitao, O., Nakai, H., Vreven, T., Throssell, K., Montgomery Jr., J.A., Peralta, J.E., Ogliaro, F., Bearpark, M.J., Heyd, J.J., Brothers, E.N., Kudin, K.N., Staroverov, V.N., Keith, T.A., Kobayashi, R., Normand, J., Raghavachari, K., Rendell, A.P., Burant, J.C., Iyengar, S.S., Tomasi, J., Cossi, M., Millam, J.M., Klene, M., Adamo, C., Cammi, R., Ochterski, J.W., Martin, R.L., Morokuma, K., Farkas, O., Foresman, J.B., and Fox, D.J., 2016. Gaussian 16 Rev. C.01, Wallingford, CT.
9
Godbout, N., Salahub, D.R., Andzelm, J., and Wimmer, E., 1992. Optimization of Gaussian-type basis sets for local spin density functional calculations. Part I. Boron through neon, optimization technique and validation, Canadian Journal of Chemistry, 70(2), p.560-571. 10.1139/v92-079
10
Jain, I.P., 2009. Hydrogen the fuel for 21st century, International Journal of Hydrogen Energy, 34(17), p.7368-7378. 10.1016/j.ijhydene.2009.05.093
11
Johnston, B., Mayo, M.C., and Khare, A., 2005. Hydrogen: the energy source for the 21st century, Technovation, 25(6), p.569-585. 10.1016/j.technovation.2003.11.005
12
Lii, J.-H., Chen, K.-H., and Allinger, N.L., 2004. Alcohols, Ethers, Carbohydrates, and Related Compounds Part V.2 The Bohlmann Torsional Effect, The Journal of Physical Chemistry A, 108(15), p.3006-3015. 10.1021/jp031063h
13
Lingam, C.B., Babu, K.R., Tewari, S.P., and Vaitheeswaran, G., 2011. Structural, electronic, bonding, and elastic properties of NH3BH3: A density functional study, Journal of Computational Chemistry, 32(8), p.1734-1742. 10.1002/jcc.2175721425297
14
Luo, W., Zakharov, L.N., and Liu, S.Y., 2011. 1,2-BN Cyclohexane: Synthesis, Structure, Dynamics, and Reactivity, Journal of the American Chemical Society, 133(33), p.13006-13009. 10.1021/ja206497x21786818
15
Olah, G.A., 2005. Beyond Oil and Gas: The Methanol Economy, Angewandte Chemie International Edition, 44(18), p.2636- 2639. 10.1002/anie.20046212115800867
16
Rabaey, K. and Verstraete, W., 2005. Microbial fuel cells: novel biotechnology for energy generation, Trends in Biotechnology, 23(6), p.291-298. 10.1016/j.tibtech.2005.04.00815922081
17
Sartbaeva, A., Kuznetsov, V.L., Wells, S.A., and Edwards, P.P., 2008. Hydrogen nexus in a sustainable energy future, Energy & Environmental Science, 1(1), p.79-85. 10.1039/b810104n
18
Schlapbach, L. and Züttel, A., 2010. Hydrogen-storage materials for mobile applications, Materials for Sustainable Energy, Co-Published with Macmillan Publishers Ltd, UK2010, p.265-270. 10.1142/9789814317665_0038
19
Sosa, C., Andzelm, J., Elkin, B.C., Wimmer, E., Dobbs, K.D., and Dixon, D.A., 1992. A local density functional study of the structure and vibrational frequencies of molecular transition- metal compounds, The Journal of Physical Chemistry, 96(16), p.6630-6636. 10.1021/j100195a022
20
Stephens, F.H., Pons, V., and Baker, R.T., 2007. Ammonia- borane: the hydrogen source par excellence?, Dalton Transactions, 25, p.2613-2626. 10.1039/B703053C17576485
21
Umadevi, V., Santhanamoorthi, N., and Senthilkumar, L., 2014. Understanding molecular properties of halogenated cyclohexane - A DFT study, Computational and Theoretical Chemistry, 1049, p.55-61. 10.1016/j.comptc.2014.09.019
22
Whittemore, S.M., Bowden, M., Karkamkar, A., Parab, K., Neiner, D., Autrey, T., Ishibashi, J.S.A., Chen, G., Liu, S.-Y., and Dixon, D.A., 2016. Blending materials composed of boron, nitrogen and carbon to transform approaches to liquid hydrogen stores, Dalton Transactions, 45(14), p.6196- 6203. 10.1039/C5DT04276C26629961
Information
  • Publisher :The Korean Society of Mineral and Energy Resources Engineers
  • Publisher(Ko) :한국자원공학회
  • Journal Title :Journal of the Korean Society of Mineral and Energy Resources Engineers
  • Journal Title(Ko) :한국자원공학회지
  • Volume : 59
  • No :1
  • Pages :21-30
  • Received Date : 2022-01-12
  • Revised Date : 2022-01-21
  • Accepted Date : 2022-02-22