Expanding the horizons of covalent organic frameworks to electrochemical sensors; A case study of CTF-FUM

The C2N surface as a highly selective sensor for the detection of nitrogen iodide from a mixture of NX3 (X = Cl, Br, I) explosives

“…For the geometry optimization of analtyes@C 2 N complexes, the M05-2X/LANL2DZ level of theory was applied, which is the best for studies of non-covalent interactions. [44][45][46][47][48][49][50][51][52][53] The level of theory chosen was quite adequate for such a complex system. The literature revealed several examples where complex systems were treated with a comparable level of theory.…”

Computational investigation of a covalent triazine framework (CTF-0) as an efficient electrochemical sensor

“…CTF-0 surface was selected due to its large p-p stacking, higher thermal stability and high nitrogen content. 39,40 The 2D CTF-0 surface provides electron rich porous cavity due to higher nitrogen content which helps in adsorption of analytes. 41 DFT calculations are performed to evaluate the adsorption studies of industrial gases on the surface of CTF-0.…”

NO as a Reagent for Topochemical Framework Transformation and Controlled Nitric Oxide Release in Covalent Organic Frameworks

“…[27][28][29] Conductive COFs have already been successfully used in chemiresistive sensor devices to detect NO and other harmful gases in the ppb range. [30,31] Despite the possible applicability of COFs as functional materials for such applications, there remain concerns regarding their stability. Assembled into frameworks by reversible covalent bond formation, their stability against the reactive NO gas might be limited at these crucial points of connection.…”