3D high-energy-density and low sensitivity materials: synthesis, structure and physicochemical properties of an azide–Cu(ii) complex with 3,5-dinitrobenzoic acid

RSC Advances ◽  
2014 ◽  
Vol 4 (31) ◽  
pp. 16087-16093 ◽  
Author(s):  
Xiangyu Liu ◽  
Qi Yang ◽  
Zhiyong Su ◽  
Sanping Chen ◽  
Gang Xie ◽  
...  
Keyword(s):  
Energy Density ◽  
Coordination Polymer ◽  
Physicochemical Properties ◽  
Single Crystal ◽  
High Energy ◽  
High Energy Density ◽  
X Ray Diffraction ◽  
Materials Synthesis ◽  
X Ray ◽  
Low Sensitivity

A novel 3D energetic coordination polymer of azide–Cu(ii), Cu(3,5-DNBA)(N3), was synthesized and structurally characterized by single crystal X-ray diffraction, where 3,5-DNBA represents 3,5-dinitrobenzoic acid.

scholarly journals Nitrogen-Rich Carbon Nitrides as Novel High Energy Density Materials

2014 ◽  
Vol 70 (a1) ◽  
pp. C758-C758
Author(s):  
Dominique Laniel ◽  
Elena Sebastiao ◽  
Cyril Cook ◽  
Muralee Murugesu ◽  
Serge Desgreniers
Keyword(s):  
Raman Spectroscopy ◽  
Energy Density ◽  
Energetic Materials ◽  
Hexagonal Lattice ◽  
High Energy ◽  
Unit Cell ◽  
High Density ◽  
High Energy Density ◽  
X Ray Diffraction ◽  
X Ray

Nitrogen-rich carbon nitride materials hold the promise of constituting novel high density energetic materials if recoverable as metastable polymeric networks of single-bonded atoms at ambient conditions. Upon transition to a lowest-energy configuration, this high pressure synthesized nitrogen-heavy material would release a large amount of energy. In this work, two nitrogen-rich molecular precursors, namely, 5'-bis(1H-tetrazolyl)amine (BTA) and cyanuric triazide (CTA), were studied in their condensed states at elevated pressures and room temperature. Powder x-ray diffraction using synchrotron radiation and micro-Raman spectroscopy were carried out to pressures as high as 12.9 and 59.6 GPa, for BTA and CTA, respectively. In our study, dense BTA is shown to conserve its room condition crystalline structure, an orthorhombic unit cell (Pbca), up to the highest pressure. In the case of CTA, results of Raman spectroscopy and x-ray diffraction indicate structural changes between 29.6 and 33.4 GPa. From numerical simulations of dense CTA [1], a phase transition into either tritetrazole (hexagonal lattice, P-6) or the sought-after polymeric CTA (monoclinic lattice, P21) is expected to take place at a pressure close to 30 GPa. Preliminary results of x-ray diffraction data indicate a transition from a hexagonal to a monoclinic unit cell with parameters similar to those predicted. Moreover, theoretically calculated polymeric nitrogen Raman peaks [2] are well matched to those observed for the high-density phase of CTA [1]. Studies of BTA and CTA under extreme conditions provide a deeper understanding of the behaviour of dense nitrogen-rich materials and guidance for further developments of high energy density compounds.

scholarly journals Recognition of V3+/V4+/V5+ Multielectron Reactions in Na3V(PO4)2: A Potential High Energy Density Cathode for Sodium-Ion Batteries

Molecules ◽  
2020 ◽  
Vol 25 (4) ◽  
pp. 1000 ◽  
Author(s):  
Rui Liu ◽  
Ziteng Liang ◽  
Yuxuan Xiang ◽  
Weimin Zhao ◽  
Haodong Liu ◽  
...  
Keyword(s):  
Solid State ◽  
Energy Density ◽  
High Energy ◽  
Sodium Ion ◽  
High Energy Density ◽  
Sodium Ion Batteries ◽  
X Ray Diffraction ◽  
Solid State Method ◽  
X Ray ◽  
Open Question

Na3V(PO4)2 was reported recently as a novel cathode material with high theoretical energy density for Sodium-ion batteries (SIBs). However, whether V3+/V4+/V5+ multielectron reactions can be realized during the charging process is still an open question. In this work, Na3V(PO4)2 is synthesized by using a solid-state method. Its atomic composition and crystal structure are verified by X-ray diffraction (XRD) and neutron diffraction (ND) joint refinement. The electrochemical performance of Na3V(PO4)2 is evaluated in two different voltage windows, namely 2.5–3.8 and 2.5–4.3 V. 51V solid-state NMR (ssNMR) results disclose the presence of V5+ in Na2−xV(PO4)2 when charging Na3V(PO4)2 to 4.3 V, confirming Na3V(PO4)2 is a potential high energy density cathode through realization of V3+/V4+/V5+ multielectron reactions.

scholarly journals Novel experimental setup for megahertz X-ray diffraction in a diamond anvil cell at the High Energy Density (HED) instrument of the European X-ray Free-Electron Laser (EuXFEL)

2021 ◽  
Vol 28 (3) ◽  
pp. 688-706
Author(s):  
H. P. Liermann ◽  
Z. Konôpková ◽  
K. Appel ◽  
C. Prescher ◽  
A. Schropp ◽  
...  
Keyword(s):  
Energy Density ◽  
Free Electron ◽  
Free Electron Laser ◽  
High Energy ◽  
High Energy Density ◽  
X Ray Diffraction ◽  
Pump Probe ◽  
X Ray ◽  
Sample Chamber ◽  
Diamond Anvil

The high-precision X-ray diffraction setup for work with diamond anvil cells (DACs) in interaction chamber 2 (IC2) of the High Energy Density instrument of the European X-ray Free-Electron Laser is described. This includes beamline optics, sample positioning and detector systems located in the multipurpose vacuum chamber. Concepts for pump–probe X-ray diffraction experiments in the DAC are described and their implementation demonstrated during the First User Community Assisted Commissioning experiment. X-ray heating and diffraction of Bi under pressure, obtained using 20 fs X-ray pulses at 17.8 keV and 2.2 MHz repetition, is illustrated through splitting of diffraction peaks, and interpreted employing finite element modeling of the sample chamber in the DAC.

scholarly journals Demonstration of Geometric Effects and Resonant Scattering in the X-Ray Spectra of High-Energy-Density Plasmas

2021 ◽  
Vol 126 (8) ◽  
Author(s):  
G. Pérez-Callejo ◽  
E. V. Marley ◽  
D. A. Liedahl ◽  
L. C. Jarrott ◽  
G. E. Kemp ◽  
...  
Keyword(s):  
Energy Density ◽  
Resonant Scattering ◽  
High Energy ◽  
High Energy Density ◽  
X Ray ◽  
High Energy Density Plasmas ◽  
Geometric Effects

Mirror to measure small angle x-ray scattering signal in high energy density experiments

2020 ◽  
Vol 91 (12) ◽  
pp. 123501
Author(s):  
M. Šmíd ◽  
C. Baehtz ◽  
A. Pelka ◽  
A. Laso García ◽  
S. Göde ◽  
...  
Keyword(s):  
Energy Density ◽  
Small Angle ◽  
High Energy ◽  
High Energy Density ◽  
X Ray ◽  
X Ray Scattering ◽  
Scattering Signal ◽  
Ray Scattering

scholarly journals Pyrene Carboxylate Ligand Based Coordination Polymers for Microwave-Assisted Solvent-Free Cyanosilylation of Aldehydes

Molecules ◽  
2021 ◽  
Vol 26 (4) ◽  
pp. 1101
Author(s):  
Anirban Karmakar ◽  
Anup Paul ◽  
Elia Pantanetti Sabatini ◽  
M. Fátima C. Guedes da Silva ◽  
Armando J. L. Pombeiro
Keyword(s):  
Coordination Polymer ◽  
Single Crystal ◽  
Coordination Polymers ◽  
Metal Ion ◽  
Solvent Free ◽  
Lewis Acidity ◽  
Carboxylate Ligand ◽  
X Ray Diffraction ◽  
X Ray ◽  
Microwave Assisted

The new coordination polymers (CPs) [Zn(μ-1κO1:1κO2-L)(H2O)2]n·n(H2O) (1) and [Cd(μ4-1κO1O2:2κN:3,4κO3-L)(H2O)]n·n(H2O) (2) are reported, being prepared by the solvothermal reactions of 5-{(pyren-4-ylmethyl)amino}isophthalic acid (H2L) with Zn(NO3)2.6H2O or Cd(NO3)2.4H2O, respectively. They were synthesized in a basic ethanolic medium or a DMF:H2O mixture, respectively. These compounds were characterized by single-crystal X-ray diffraction, FTIR spectroscopy, thermogravimetric and elemental analysis. The single-crystal X-ray diffraction analysis revealed that compound 1 is a one dimensional linear coordination polymer, whereas 2 presents a two dimensional network. In both compounds, the coordinating ligand (L2−) is twisted due to the rotation of the pyrene ring around the CH2-NH bond. In compound 1, the Zn(II) metal ion has a tetrahedral geometry, whereas, in 2, the dinuclear [Cd2(COO)2] moiety acts as a secondary building unit and the Cd(II) ion possesses a distorted octahedral geometry. Recently, several CPs have been explored for the cyanosilylation reaction under conventional conditions, but microwave-assisted cyanosilylation of aldehydes catalyzed by CPs has not yet been well studied. Thus, we have tested the solvent-free microwave-assisted cyanosilylation reactions of different aldehydes, with trimethylsilyl cyanide, using our synthesized compounds, which behave as highly active heterogeneous catalysts. The coordination polymer 1 is more effective than 2, conceivably due to the higher Lewis acidity of the Zn(II) than the Cd(II) center and to a higher accessibility of the metal centers in the former framework. We have also checked the heterogeneity and recyclability of these coordination polymers, showing that they remain active at least after four recyclings.

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