Structural prediction, analysis and decomposition mechanism of solid M(NH2BH3)n (M = Mg, Ca and Al)

Wang, Kun; Arcisauskaite, Vaida; Jiao, Jian-She; Zhang, Jianguo; Zhang, Tonglai; Zhou, Zunning

doi:10.1039/c4ra00772g

Cited by 18 publications

(21 citation statements)

References 52 publications

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“…A recent density functional theory (DFT) study compared the intercalation of Li, Na, and K into graphite. [34] The authors found that the intercalation of Na is indeed energetically unfavorable, Haegyeom Kim received a Ph.D. degree (2015) on graphite derivatives for Li and Na rechargeable batteries at Seoul National University. Currently, he is a postdoctoral fellow in Prof. Gerbrand Ceder's group at Lawrence Berkeley National Laboratory.…”

Section: Graphite Anodesmentioning

confidence: 99%

Recent Progress and Perspective in Electrode Materials for K‐Ion Batteries

Kim

Bianchini

et al. 2017

Advanced Energy Materials

601

465

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and demand in terms of time and space. Thus, grid-level stationary energy storage systems (ESSs) play a key role in making renewable energies both effective and efficient and thereby shaping a more sustainable and environmental friendly society.Although different energy storage technologies including mechanical, electrical, chemical, and electrochemical systems have been proposed, [2,3] mechanical energy storage through pumped hydroelectricity currently dominates the market (≈95% of the installed capacity, ≈183 GW). [4] Electrochemical energy storage is also being considered as a promising option for ESSs based on its flexibility of deployment with little restriction on size and geographical location, low maintenance costs, large energy density, high round-trip efficiency, and long cycle life. [3,5,6] The market for Li-ion batteries (LIBs), originally commercialized for portable electronic devices (i.e., cell phones and laptops), is now expanding to electric vehicles (EVs) and gridlevel ESSs. However, it remains debatable whether the global Li reserves, ≈14 million tons, can meet the increasing demand for such large-scale applications. [7][8][9] The price of lithium carbonate, which is a primary precursor for LIBs, has been continuously increasing since 2000, [10] and this trend is likely to accelerate once the EV and ESS markets take off. Moreover, Li is geographically limited to specific regions: ≈86% of the Li reserves are located in Bolivia, Chile, China, Argentina, and Australia; [9] therefore, geopolitical issues may arise. A more pressing issue for Li-ion markets is the use of Co in all high-energy-density systems. With more than 50% of all mined Co destined for use in Li-ion technology, and a substantial fraction of that coming from the Democratic Republic of the Congo, Li-ion growth may be hampered by the availability of Co. [11] As a less expensive alternative to LIBs, Na-ion batteries (NIBs) have been extensively studied. [6,[12][13][14] The relatively high standard redox potential of Na/Na + leads to a lower working voltage and thereby lower energy density than Li-ion. In addition, hard carbon, which is associated with a high production cost and low material's density, must be used as an anode in NIBs, as graphite, which is the standard anode for LIBs, cannot store Na ions. [15][16][17] Recently, K-ion batteries (KIBs) have emerged as another possible energy storage system. [18][19][20] It is notable that the abundance of K resources in the Earth's crust and oceans is similar to that of Na (Figure 1a). [21,22] The cost of potassium carbonate The development of rechargeable batteries using K ions as charge carriers has recently attracted considerable attention in the search for cost-effective and large-scale energy storage systems. In light of this trend, various materials for positive and negative electrodes are proposed and evaluated for application in K-ion batteries. Here, a comprehensive review of ongoing materials research on nonaqueous K-ion batteries is offered. Information on the status of ...

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Section: Graphite Anodesmentioning

confidence: 99%

Recent Progress and Perspective in Electrode Materials for K‐Ion Batteries

Kim

Bianchini

et al. 2017

Advanced Energy Materials

601

465

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“…Interestingly,r ecent theoretical calculations of the decomposition mechanism of Al(NH 2 BH 3 ) 3 propose the formation of Al(NBH) 3 . [37] However,t ot he best of our knowledge, no experimental evidenceo ft he existence of Al(NH 2 BH 3 ) 3 Twor egenerationt ests were performed for the samples s3 and s4 by applying 150 bar of hydrogen:o ne at 85 8C, to check for ah ypothetical transformationb ack to the starting NaAlH 4 -4 AB composite, and another at 250 8C, to attempt ar ehydrogenation of AlN 4 B 3 H (0-3.6) .I tw as found that Na[Al(NH 2 BH 3 ) 4 ]d oes not take up hydrogen at temperatures up to 85 8Cb ut insteadd ecomposess lowly (Figures S11a and ei nt he Supporting Information). Thus, the final uptake was negative for both samples s3 and s4.T his behavior is expected, because the reaction given in Equation (3) is slightly exothermica ccording to the DSC data ( Figure 6) and the DFT calculations ( Figure S7 Supporting Information).…”

Section: Reactionp Athways Volumetric Analysis and Reversibility Testsmentioning

confidence: 99%

A Composite of Complex and Chemical Hydrides Yields the First Al‐Based Amidoborane with Improved Hydrogen Storage Properties

Dovgaliuk

Jepsen

Safin

et al. 2015

Chemistry A European J

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The first Al-based amidoborane Na[Al(NH2 BH3 )4 ] was obtained through a mechanochemical treatment of the NaAlH4 -4 AB (AB=NH3 BH3 ) composite releasing 4.5 wt % of pure hydrogen. The same amidoborane was also produced upon heating the composite at 70 °C. The crystal structure of Na[Al(NH2 BH3 )4 ], elucidated from synchrotron X-ray powder diffraction and confirmed by DFT calculations, contains the previously unknown tetrahedral ion [Al(NH2 BH3 )4 ](-) , with every NH2 BH3 (-) ligand coordinated to aluminum through nitrogen atoms. Combination of complex and chemical hydrides in the same compound was possible due to both the lower stability of the AlH bonds compared to the BH ones in borohydride, and due to the strong Lewis acidity of Al(3+) . According to the thermogravimetric analysis-differential scanning calorimetry-mass spectrometry (TGA-DSC-MS) studies, Na[Al(NH2 BH3 )4 ] releases in two steps 9 wt % of pure hydrogen. As a result of this decomposition, which was also supported by volumetric studies, the formation of NaBH4 and amorphous product(s) of the surmised composition AlN4 B3 H(0-3.6) were observed. Furthermore, volumetric experiments have also shown that the final residue can reversibly absorb about 27 % of the released hydrogen at 250 °C and p(H2 )=150 bar. Hydrogen re-absorption does not regenerate neither Na[Al(NH2 BH3 )4 ] nor starting materials, NaAlH4 and AB, but rather occurs within amorphous product(s). Detailed studies of the latter one(s) can open an avenue for a new family of reversible hydrogen storage materials. Finally, the NaAlH4 -4 AB composite might become a starting point towards a new series of aluminum-based tetraamidoboranes with improved hydrogen storage properties such as hydrogen storage density, hydrogen purity, and reversibility.

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“…It can undergo electrophilic aromatic substitution and participate in the polymerization reaction, which could increase the crosslinking density of the cured resin, thereby effectively improving the thermal stability of benzoxazine resin. [25][26][27] In this study, biomass-derived DPA and F as raw materials were selected to synthesize a novel bio-based benzoxazine resin (diphenol acid/furfurylamine benzoxazine resin, PDPA-F-Boz). The DPA-F-Boz monomer was characterized by Fourier transform infrared (FTIR) spectrophotometry and 1 H NMR and 13 C NMR.…”

Section: Introductionmentioning

confidence: 99%

Synthesis and properties of a novel bio‐based benzoxazine resin with excellent low‐temperature curing ability

Zhan

Yan

Yin

et al. 2019

Polymer International

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A novel bio‐based benzoxazine resin (diphenolic acid/furfurylamine benzoxazine resin, PDPA‐F‐Boz) was prepared by using bio‐based diphenolic acid, furfurylamine and paraformaldehyde as raw materials. The structure of DPA‐F‐Boz monomer was characterized by Fourier transform infrared spectroscopy, 1H NMR and 13C NMR, and then its curing reaction and the thermal stability of the cured PDPA‐F‐Boz were analyzed. Compared with the traditional fossil‐based benzoxazine (bisphenol A/aniline benzoxazine, BPA‐A‐Boz) and the bio‐based benzoxazine (diphenolic acid/aniline benzoxazine, DPA‐A‐Boz), DPA‐F‐Boz monomer showed the lowest curing temperature, and PDPA‐F‐Boz had the highest residual char ratio at 800 °C and the lowest degradation rate at the peak temperature. Meanwhile, the total heat release, peak heat release rate and heat release capacity of PDPA‐F‐Boz were much lower than those of PBPA‐A‐Boz and PDPA‐A‐Boz. Thus, PDPA‐F‐Boz showed excellent low‐temperature curing ability and thermal stability. © 2019 Society of Chemical Industry

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Structural prediction, analysis and decomposition mechanism of solid M(NH₂BH₃)_n (M = Mg, Ca and Al)

Abstract: Crystal structures of multivalent metal amidoboranes (CaAB, MgAB, AlAB) with their thermodynamic properties and dehydrogenation mechanisms have been obtained theoretically.

Cited by 18 publications

References 52 publications

Recent Progress and Perspective in Electrode Materials for K‐Ion Batteries

Recent Progress and Perspective in Electrode Materials for K‐Ion Batteries

A Composite of Complex and Chemical Hydrides Yields the First Al‐Based Amidoborane with Improved Hydrogen Storage Properties

Synthesis and properties of a novel bio‐based benzoxazine resin with excellent low‐temperature curing ability

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