Multifunctionalities of an Azine-Linked Covalent Organic Framework: From Nanoelectronics to Nitroexplosive Detection and Conductance Switching

Chakravarty, Chandrima; Mandal, Bikash; Sarkar, Pranab

doi:10.1021/acs.jpcc.7b11609

Cited by 27 publications

(21 citation statements)

References 83 publications

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“…Experimentally, the assembling of nitrogen-containing linkages and benzene-based nodes into 2D frameworks is possibly realized via dihydration reaction for some 2D COFs, as illustrated in Figure S7. Note that many imine-linked − and azine-linked , COFs have been reported experimentally with dehydrogenation reactions. Note that for azo-linked COFs, it is difficult to synthesize the 2D structure due to some competing reactions.…”

Section: Resultsmentioning

confidence: 99%

“…Though the calculated formation energies have a wide range from −3.84 to 0.34 eV, some of the them have been experimentally synthesized in previous studies. To our knowledge, I-TA, I-TST, Ai-BZ, Ai-TBZ, and Ai-TST have been experimentally realized, named as TPA, TTI-COF, ACOF-1, , N0-COF, and N3-COF, respectively. Table S1 summarizes the comparison of our calculated results with some synthesized 2D nitrogen-linked COFs.…”

Section: Resultsmentioning

confidence: 99%

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A Simple Molecular Design Strategy for Two-Dimensional Covalent Organic Framework Capable of Visible-Light-Driven Water Splitting

et al. 2020

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Two-dimensional (2D) covalent organic frameworks (COFs) are promising metal-free materials for photocatalytic water splitting because of their high surface area and predictability to assemble various molecules with tunable electronic properties. Unfortunately, 2D COFs capable of visible-light-driven photocatalytic overall water splitting are rare, partly due to rigorous requirements to their band alignments and coexistence of catalytic sites for both hydrogen evolution reaction (HER) and oxygen evolution reaction (OER). Herein, 12 2D nitrogen-linked COFs are designed based on first-principles calculations and topological assembly of molecular segments with catalytic activities toward either HER or OER, respectively. The electronic band structures calculated with HSE06 method indicate that 2D COFs are semiconductors with a widely tunable bandgap ranging from 1.92 to 3.23 eV. The positions of both conduction and valence band edges of nine 2D COFs match well with the chemical reaction potential of H2/H+ and O2/H2O, which are capable of photocatalytic overall water splitting. Of particular importance is that three of them based on 2,4,6-tris(4-methylphenyl)-1,3,5-triazine (TST) can split water into hydrogen and oxygen under visible light. Our results agree with respect to the literature, with three of them having been studied for photocatalytic HER or CO2 reduction. In addition, we further experimentally demonstrate that I-TST presents both HER and OER activity under visible light. Our findings present a route to design practical 2D COFs as metal-free and single-material photocatalysts for overall water splitting under visible light.

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Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

A Simple Molecular Design Strategy for Two-Dimensional Covalent Organic Framework Capable of Visible-Light-Driven Water Splitting

et al. 2020

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“…Moreover, those studies indicated the interferences along π-electrons are the main driving forces for the host-guest interactions in case of such electron-rich, conjugated host-guests [44,45]. The quench of photoluminescence after nitrobenzene (electron acceptor) exposure during the optical sensing applications can be a good experimental proof for this behavior [33,[46][47][48][49].…”

Section: Techniques For Covalent Organic Framework Film Formationmentioning

confidence: 93%

“…Moreover, those studies indicated the interferences along -electrons are the main driving forces for the host-guest interactions in case of such electron-rich, conjugated host-guests [44,45]. The quench of photoluminescence after nitrobenzene (electron acceptor) exposure during the optical sensing applications can be a good experimental proof for this behavior [33,[46][47][48][49]. Since porous organic polymers have a non-soluble nature (except some PIMs) due to their highly rigid, branched, long-alkyl-free backbone, forming uniform films from those compounds has been a challenge for their integration to devices, hence their limited utilization for electronic applications [50].…”

Section: Techniques For Covalent Organic Framework Film Formationmentioning

confidence: 93%

“…Therefore, rational design strategies to combine those variables should be an option to enrich the portfolio of such materials. For example, the cross-conjugation [95] in common COFs can also be an asset for electronics [49,96] as well as some irregularities along the structure [97,98]. Furthermore, donor-acceptor COFs have a tendency to form nearly perfect donor-donor and acceptor-acceptor eclipsed stackings leading to excellent charge separation and extended bicontinuous electron/hole conducting columns (Figure 6A), which is unlike slipped/tilted alternating intermolecular donor-acceptor overlaps of the ordinary (linear and soluble) conjugated polymers [99][100][101][102].…”

Section: Outlook and Conclusionmentioning

confidence: 99%

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Have Covalent Organic Framework Films Revealed Their Full Potential?

Bildirir

2021

Crystals

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Porous organic polymers provide high accessible surface areas, which make them attractive for gas storage, separation, and catalysis. In addition to those classical usage areas, such compounds are particularly interesting for electronic applications since their high dimensional, electron-rich backbone provides advanced electronic and photophysical properties. However, their non-soluble nature is a challenge for their processability, especially in the case of film formation, hence their limited utilization in organic electronic devices so far. Nevertheless, there are several techniques presented in the literature to overcome that issue, most of which were on the crystalline porous organic polymers, namely covalent organic frameworks (COFs). In this perspective, the developments on COF film formation and prospects for the improvements are discussed with suggestions to further their performances in organic electronics.

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Porous Organic Frameworks: Advanced Materials in Analytical Chemistry

et al. 2018

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Porous organic frameworks (POFs), a general term for covalent‐organic frameworks (COFs), covalent triazine frameworks (CTFs), porous aromatic frameworks (PAFs), etc., are constructed from organic building monomers with strong covalent bonds and have generated great interest among researchers. The remarkable features, such as large surface areas, permanent porosity, high thermal and chemical stability, and convenient functionalization, promote the great potential of POFs in diverse applications. A critical overview of the important development in the design and synthesis of COFs, CTFs, and PAFs is provided and their state‐of‐the‐art applications in analytical chemistry are discussed. POFs and their functional composites have been explored as advanced materials in “turn‐off” or “turn‐on” fluorescence detection and novel stationary phases for chromatographic separation, as well as a promising adsorbent for sample preparation methods. In addition, the prospects for the synthesis and utilization of POFs in analytical chemistry are also presented. These prospects can offer an outlook and reference for further study of the applications of POFs.

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Multifunctionalities of an Azine-Linked Covalent Organic Framework: From Nanoelectronics to Nitroexplosive Detection and Conductance Switching

Cited by 27 publications

References 83 publications

A Simple Molecular Design Strategy for Two-Dimensional Covalent Organic Framework Capable of Visible-Light-Driven Water Splitting

A Simple Molecular Design Strategy for Two-Dimensional Covalent Organic Framework Capable of Visible-Light-Driven Water Splitting

Have Covalent Organic Framework Films Revealed Their Full Potential?

Porous Organic Frameworks: Advanced Materials in Analytical Chemistry

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