Improved organic hydrogen carriers with superior thermodynamic properties

被引：14
作者：
Lu, Rui-Feng [1 ]
Boethius, Gustav [1 ]
Wen, Shu-Hao [2 ]
Su, Yan [2 ]
Deng, Wei-Qiao [1 ]
机构：
[1] Nanyang Technol Univ, Sch Phys & Math Sci, Div Chem & Biol Chem, Singapore 639798, Singapore
[2] Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China
来源：
CHEMICAL COMMUNICATIONS | 2009年 / 13期
关键词：
WALLED CARBON NANOTUBES; STORAGE MATERIALS; TEMPERATURE; FRAMEWORKS; MOLECULES; RELEASE; ATOMS;
D O I：
10.1039/b820053j
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
By the incorporation of N atoms into naphthalene, we present a theoretical investigation to seek for improved organic hydrogen carriers with an explicit guideline, the release of H-2 is found to be greatly favored thermodynamically and the corresponding cycloalkanes possess high hydrogen storage capacity, this offers extensive candidates for practical applications of the promising hydrogen energy.
引用
收藏
页码：1751 / 1753
页数：3
相关论文
共 21 条
  • [1] [Anonymous], 2004, GAUSSIAN03
  • [2] A route to high surface area, porosity and inclusion of large molecules in crystals
    Chae, HK
    Siberio-Pérez, DY
    Kim, J
    Go, Y
    Eddaoudi, M
    Matzger, AJ
    O'Keeffe, M
    Yaghi, OM
    [J]. NATURE, 2004, 427 (6974) : 523 - 527
  • [3] Computational structure-activity relationships in H2 storage:: how placement of N atoms affects release temperatures in organic liquid storage materials
    Clot, Eric
    Eisenstein, Odile
    Crabtree, Robert H.
    [J]. CHEMICAL COMMUNICATIONS, 2007, (22) : 2231 - 2233
  • [4] Gaussian-3 (G3) theory for molecules containing first and second-row atoms
    Curtiss, LA
    Raghavachari, K
    Redfern, PC
    Rassolov, V
    Pople, JA
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1998, 109 (18) : 7764 - 7776
  • [5] New alkali doped pillared carbon materials designed to achieve practical reversible hydrogen storage for transportation
    Deng, WQ
    Xu, X
    Goddard, WA
    [J]. PHYSICAL REVIEW LETTERS, 2004, 92 (16) : 166103 - 1
  • [6] Systematic design of pore size and functionality in isoreticular MOFs and their application in methane storage
    Eddaoudi, M
    Kim, J
    Rosi, N
    Vodak, D
    Wachter, J
    O'Keeffe, M
    Yaghi, OM
    [J]. SCIENCE, 2002, 295 (5554) : 469 - 472
  • [7] THE 100 MW EURO-QUEBEC HYDRO-HYDROGEN PILOT PROJECT
    GRETZ, J
    BASELT, JP
    ULLMANN, O
    WENDT, H
    [J]. INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 1990, 15 (06) : 419 - 424
  • [8] Thermal decomposition of the non-interstitial hydrides for the storage and production of hydrogen
    Grochala, W
    Edwards, PP
    [J]. CHEMICAL REVIEWS, 2004, 104 (03) : 1283 - 1315
  • [9] Improved designs of metal-organic frameworks for hydrogen storage
    Han, Sang Soo
    Deng, Wei-Qiao
    Goddard, William A., III
    [J]. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2007, 46 (33) : 6289 - 6292
  • [10] A robust porous material constructed of linear coordination polymer chains: Reversible single-crystal to single-crystal transformations upon dehydration and rehydration
    Lee, EY
    Suh, MP
    [J]. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2004, 43 (21) : 2798 - 2801
123