Band gaps and the possible effect on impact sensitivity for some nitro aromatic explosive materials

Hong Zhang; Frankie Cheung; Feng Zhao; Xin-Lu Cheng

doi:10.1002/qua.21990

Band gaps and the possible effect on impact sensitivity for some nitro aromatic explosive materials

International Journal of Quantum Chemistry ◽

10.1002/qua.21990 ◽

2009 ◽

Vol 109 (7) ◽

pp. 1547-1552 ◽

Cited By ~ 36

Author(s):

Hong Zhang ◽

Frankie Cheung ◽

Feng Zhao ◽

Xin-Lu Cheng

Keyword(s):

Impact Sensitivity ◽

Band Gaps ◽

Explosive Materials ◽

Nitro Aromatic

Download Full-text

Phonon Band Gaps

Journal de Physique I ◽

10.1051/jp1:1997172 ◽

1997 ◽

Vol 7 (3) ◽

pp. 509-519 ◽

Cited By ~ 5

Author(s):

R. M. Hornreich ◽

M. Kugler ◽

S. Shtrikman ◽

C. Sommers

Keyword(s):

Band Gaps ◽

Phonon Band

Download Full-text

RDX/GAP-ETPE NANOCOMPOSITES FOR REMARKABLY REDUCED IMPACT SENSITIVITY

International Journal of Energetic Materials and Chemical Propulsion ◽

10.1615/intjenergeticmaterialschemprop.2016016164 ◽

2016 ◽

Vol 15 (3) ◽

pp. 275-284

Author(s):

Hequn Li ◽

Chongwei An ◽

Baoyun Ye ◽

Wei Ji ◽

Jingyu Wang

Keyword(s):

Impact Sensitivity

Download Full-text

Dibenzochrysene Enables Tightly Controlled Docking and Stabilizes Photoexcited States in Dual-Pore Covalent Organic Frameworks

10.26434/chemrxiv.9638633.v1 ◽

2019 ◽

Author(s):

Torben Sick ◽

Niklas Keller ◽

Nicolai Bach ◽

Andreas Koszalkowski ◽

Julian Rotter ◽

...

Keyword(s):

Molecular Docking ◽

Photophysical Properties ◽

Visible Spectrum ◽

Large Family ◽

Building Blocks ◽

Band Gaps ◽

Docking Site ◽

Covalent Organic Frameworks ◽

Connected Node ◽

Optoelectronic Applications

Covalent organic frameworks (COFs), consisting of covalently connected organic building units, combine attractive features such as crystallinity, open porosity and widely tunable physical properties. For optoelectronic applications, the incorporation of heteroatoms into a 2D COF has the potential to yield desired photophysical properties such as lower band gaps, but can also cause lateral offsets of adjacent layers. Here, we introduce dibenzo[g,p]chrysene (DBC) as a novel building block for the synthesis of highly crystalline and porous 2D dual-pore COFs showing interesting properties for optoelectronic applications. The newly synthesized terephthalaldehyde (TA), biphenyl (Biph), and thienothiophene (TT) DBC-COFs combine conjugation in the a,b-plane with a tight packing of adjacent layers guided through the molecular DBC node serving a specific docking site for successive layers. The resulting DBC-COFs exhibit a hexagonal dual-pore kagome geometry, which is comparable to COFs containing another molecular docking site, namely 4,4′,4″,4‴-(ethylene-1,1,2,2-tetrayl)-tetraaniline (ETTA). In this context, the respective interlayer distances decrease from about 4.60 Å in ETTA-COFs to about 3.6 Å in DBC-COFs, leading to well-defined hexagonally faceted single crystals sized about 50-100 nm. The TT DBC-COFs feature broad light absorption covering large parts of the visible spectrum, while Biph DBC-COF shows extraordinary excited state lifetimes exceeding 10 ns. In combination with the large number of recently developed linear conjugated building blocks, the new DBC tetra-connected node is expected to enable the synthesis of a large family of strongly p-stacked, highly ordered 2D COFs with promising optoelectronic properties.

Download Full-text