Development of potential organic-molecule-based hydrogen storage materials: Converting C N bond-breaking thermolysis of guanidine to N H bond-breaking dehydrogenation

Zhou, Xiuquan; Zhou, Wei; Udovic, Terrence J.; Yildirim, Taner; Rush, John J.; Rodriguez, Efrain E.; Wu, Hui

doi:10.1016/j.ijhydene.2016.08.129

Title: Development of potential organic-molecule-based hydrogen storage materials: Converting C N bond-breaking thermolysis of guanidine to N H bond-breaking dehydrogenation

Full Record
Other Related Research

Authors:: Zhou, Xiuquan; Zhou, Wei; Udovic, Terrence J.; Yildirim, Taner; Rush, John J.; Rodriguez, Efrain E.; Wu, Hui

Publication Date:: Tue Nov 01 00:00:00 EDT 2016

Sponsoring Org.:: USDOE Office of Energy Efficiency and Renewable Energy (EERE)

OSTI Identifier:: 1550702

Grant/Contract Number:: EE0002978

Resource Type:: Journal Article: Publisher's Accepted Manuscript

Journal Name:: International Journal of Hydrogen Energy

Additional Journal Information:: Journal Name: International Journal of Hydrogen Energy Journal Volume: 41 Journal Issue: 41; Journal ID: ISSN 0360-3199

Publisher:: Elsevier

Country of Publication:: United Kingdom

Language:: English

Citation Formats


                    Zhou, Xiuquan, Zhou, Wei, Udovic, Terrence J., Yildirim, Taner, Rush, John J., Rodriguez, Efrain E., and Wu, Hui. Development of potential organic-molecule-based hydrogen storage materials: Converting C N bond-breaking thermolysis of guanidine to N H bond-breaking dehydrogenation.  United Kingdom: N. p., 2016. 
        Web.  doi:10.1016/j.ijhydene.2016.08.129.

Copy to clipboard


                    Zhou, Xiuquan, Zhou, Wei, Udovic, Terrence J., Yildirim, Taner, Rush, John J., Rodriguez, Efrain E., & Wu, Hui. Development of potential organic-molecule-based hydrogen storage materials: Converting C N bond-breaking thermolysis of guanidine to N H bond-breaking dehydrogenation.  United Kingdom.  https://doi.org/10.1016/j.ijhydene.2016.08.129

Copy to clipboard


                    Zhou, Xiuquan, Zhou, Wei, Udovic, Terrence J., Yildirim, Taner, Rush, John J., Rodriguez, Efrain E., and Wu, Hui. 2016.  
        "Development of potential organic-molecule-based hydrogen storage materials: Converting C N bond-breaking thermolysis of guanidine to N H bond-breaking dehydrogenation".  United Kingdom.  https://doi.org/10.1016/j.ijhydene.2016.08.129.

Copy to clipboard


                    
@article{osti_1550702,

  title        = {Development of potential organic-molecule-based hydrogen storage materials: Converting C N bond-breaking thermolysis of guanidine to N H bond-breaking dehydrogenation},

  author       = {Zhou, Xiuquan and Zhou, Wei and Udovic, Terrence J. and Yildirim, Taner and Rush, John J. and Rodriguez, Efrain E. and Wu, Hui},

  abstractNote = {},

  doi          = {10.1016/j.ijhydene.2016.08.129},

  url          = {https://www.osti.gov/biblio/1550702},
  journal      = {International Journal of Hydrogen Energy},

  issn         = {0360-3199},

  number       = 41,

  volume       = 41,

  place        = {United Kingdom},

  year         = {Tue Nov 01 00:00:00 EDT 2016},

  month        = {Tue Nov 01 00:00:00 EDT 2016}

}

Copy to clipboard

Journal Article:

Free Publicly Available Full Text

Accepted Manuscript (Publisher)

Publisher's Version of Record at https://doi.org/10.1016/j.ijhydene.2016.08.129

Other availability

Search WorldCat to find libraries that may hold this journal

Citation Metrics:

Cited by: 5 works

Citation information provided by
Web of Science

Save / Share:

Export Metadata

Save to My Library

Similar records in OSTI.GOV collections:

Development of potential organic-molecule-based hydrogen storage materials: Converting C N bond-breaking thermolysis of guanidine to N H bond-breaking dehydrogenation

Journal Article Zhou, Xiuquan; Zhou, Wei; Udovic, Terrence; ... - International Journal of Hydrogen Energy

Not provided.
https://doi.org/10.1016/j.ijhydene.2016.08.129
A new family of metal borohydride guanidinate complexes: Synthesis, structures and hydrogen-storage properties

Journal Article Wu, Hui; Zhou, Xiuquan; Rodriguez, Efrain; ... - Journal of Solid State Chemistry

Here we report on a new class of complex hydrides: borohydride guanidinate complexes (MBH₄·nCN₃H₅, M=Li, Mg, and Ca). They can be prepared via facile solid-state synthesis routes. Their crystal structures were successfully determined using a combination of X-ray diffraction, first-principles calculations and neutron vibrational spectroscopy. Among these compounds, Mg(BH₄)₂·6CN₃H₅ is composed of large complex Mg[CN₃H₅]₆²⁺ cations and surrounding BH_4- ions, while Ca(BH₄)₂·2CN₃H₅ possesses layers of corner-sharing Ca[BH₄]₄(CN₃H₅)₂ octahedra. Our dehydrogenation results show that ≈10 wt% hydrogen can be released from MBH₄·nCN₃H₅ (M=Li, Mg, and Ca) at moderate temperatures with minimal ammonia and diborane contamination thanks to the synergistic effect ofmore »« less
Cited by 10
https://doi.org/10.1016/j.jssc.2016.07.013

Full Text Available
Preparation, structure, and magnetic properties of a ternary tetrathiafulvalenium salt based on a paramagnetic hexanuclear niobium cluster halide: (TTF sup + ) sub 2 ((Nb sub 3 Cl sub 18 ) sup 3 minus )((C sub 2 H sub 5 ) sub 4 N sup + )(CH sub 3 CN), a unique molecular rock salt with channels incorporating a neutral organic molecule

Journal Article Penicaud, A; Batail, P; Davidson, P; ...

A ternary tetrathiafulvalenium (TTF{sup +}) salt, based on the trivalent, paramagnetic, hexanuclear, all-inorganic niobium cluster anion Nb{sub 6}Cl{sub 18}{sup 3{minus}}, has been prepared by electrocrystallization and characterized by single-crystal x-ray diffraction and diffuse scattering as well as variable-temperature ESR studies. (TTF{sup +}){sub 2{sup {minus}}}((Nb{sub 6}Cl{sub 18}){sup 3{minus}})((C{sub 2}H{sub 5}){sub 4}N{sup +})(CH{sub 3}CN) is insulating, and the tetragonal (space group P4{sub 2}/ncm) lattice parameters at 140 K are a = 17.929 (6), c = 15.798 (3) {angstrom}, and V = 5,079.0 {angstrom}{sup 3}. The structure presents a rock salt framework with the tetrahedral interstices selectively occupied by tetraethylammonium cations and acetonitrilemore » molecules.« less
Isomers and Conformers of H(NH₂BH₂)(n)H Oligomers: Understanding the Geometries and Electronic Structure of Boron-Nitrogen-Hydrogen Compounds as Potential Hydrogen Storage Materials

Journal Article Li, Jun; Kathmann, Shawn; Schenter, Gregory; ... - Journal of Physical Chemistry C, 111(8):3294-3299

Boron-nitrogen-hydrogen (BNHx) materials are polar analogs of hydrocarbons with potential applications as media for hydrogen storage. As H(NH₂BH₂)nH oligomers result from dehydrogenation of NH₃BH₃ and NH₄BH₄ materials, understanding the geometries, stabilities, and electronic structure of these oligomers is essential for developing chemical methods of hydrogen release and regeneration of the BNHx-based hydrogen storage materials. In this work we have performed computational modeling on the H(NH₂BH₂)nH (n = 1 – 6) oligomers using density functional theory (DFT). We have investigated linear chain structures and the stabilizing effects of coiling, biradicalization, and branching through Car-Parrinello molecular dynamics simulations and geometry optimizations. Wemore »« less
https://doi.org/10.1021/jp066360b
Estimate of the activation energy of dehydrogenation of C/sub 2/H/sub 5/OH molecules based on kinetic data for IR multiphoton excitation

Journal Article Zhitneva, G - High Energy Chem. (Engl. Transl.); (United States)

We give an estimate of the activation energy for the dehydrogenation reaction based on kinetic studies of the processes in C/sub 2/H/sub 5/OH vapor when they are initiated by IR radiation form a pulsed CO/sub 2/ laser. The products were analyzed by the gas chromatography method after irradiation. C/sub 2/H/sub 4/, H/sub 2/, CH/sub 3/CHO, C/sub 2/H/sub 6/, and CH/sub 4/ were detected.

Similar Records