Graphitic carbon nitride functionalized with four boron atoms for adsorption and separation of CO2/CH4: DFT calculations

Ibarra-Rodríguez, Marisol; Sánchez, Mario

doi:10.1007/s10450-020-00233-4

Cited by 7 publications

(4 citation statements)

References 40 publications

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Section: Chemical Functionalization Of G-c3n4mentioning

confidence: 99%

“…In conclusion, we can say that the chemical oxidation seems to be a more effective way, as suggested in the first section, because it can anchor functional terminal groups in the surface of nanosheets, and the overlapping band structures of TPyP and O-g-C 3 N 4 facilitate charge separation by photogeneration of the electron−hole pairs. In another study, Ibarra-Rodri ́guez et al 203 studied the adsorption of CO 2 and CH 4 functionalized with four boron atoms on g-C 3 N 4 B 4 using DFT calculations. Therefore, the prepared material could serve as a promising adsorbent of CO 2 and for natural gas purification because the inserted B4 cluster (Figure 48b) in g-C 3 N 4 improves active sites for greater interaction between the gas molecules.…”

Section: Chemical Functionalization Of G-c 3 Nmentioning

confidence: 99%

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Emerging Chemical Functionalization of g-C₃N₄: Covalent/Noncovalent Modifications and Applications

2020

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Atomically 2D thin-layered structures, such as graphene nanosheets, graphitic carbon nitride nanosheets (g-C3N4), hexagonal boron nitride, and transition metal dichalcogenides are emerging as fascinating materials for a good array of domains owing to their rare physicochemical characteristics. In particular, graphitic carbon nitride has turned into a hot subject in the scientific community due to numerous qualities such as simple preparation, electrochemical properties, high adsorption capacity, good photochemical properties, thermal stability, and acid-alkali chemical resistance, etc. Basically, g-C3N4 is considered as a polymeric material consisting of N and C atoms forming a tri-s-triazine network connected by planar amino groups. In comparison with most C-based materials, g-C3N4 possesses electron-rich characteristics, basic moieties, and hydrogen-bonding groups owing to the presence of hydrogen and nitrogen atoms; therefore, it is taken into account as an interesting nominee to further complement carbon in applications of functional materials. Nevertheless, g-C3N4 has some intrinsic limitations and drawbacks mainly related to a relatively poor specific surface area, rapid charge recombination, a limited light absorption range, and a poor dispersibility in both aqueous and organic mediums. To overcome these shortcomings, numerous chemical modification approaches have been conducted with the aim of expanding the range of application of g-C3N4 and enhancing its properties. In the current review, the comprehensive survey is conducted on g-C3N4 chemical functionalization strategies including covalent and noncovalent approaches. Covalent approaches consist of establishing covalent linkage between the g-C3N4 structure and the chemical modifier such as oxidation/carboxylation, amidation, polymer grafting, etc., whereas the noncovalent approaches mainly consist of physical bonding and intermolecular interaction such as van der Waals interactions, electrostatic interactions, π–π interactions, and so on. Furthermore, the preparation, characterization, and diverse applications of functionalized g-C3N4 in various domains are described and recapped. We believe that this work will inspire scientists and readers to conduct research with the aim of exploring other functionalization strategies for this material in numerous applications.

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Section: Chemical Functionalization Of G-c3n4mentioning

confidence: 99%

Section: Chemical Functionalization Of G-c 3 Nmentioning

confidence: 99%

Emerging Chemical Functionalization of g-C₃N₄: Covalent/Noncovalent Modifications and Applications

2020

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“…Especially, with a typical electrical conductivity between graphene and boron nitride, boron carbon nitride (BCN) has semiconductive properties . Due to superthermal conductivity and excellent mechanical and chemical stability of BCN, BCN-involved materials can be applied in adsorption, battery, catalysis, protective coatings, gas detection, electronics, and photoelectronics …”

Section: Introductionmentioning

confidence: 99%

“…1 Especially, with a typical electrical conductivity between graphene and boron nitride, boron carbon nitride (BCN) has semiconductive properties. 2 Due to superthermal conductivity and excellent mechanical and chemical stability of BCN, BCN-involved materials can be applied in adsorption, 3 battery, 4 catalysis, 5 protective coatings, 6 gas detection, 7 electronics, 8 and photoelectronics. 9 BCN compounds are synthesized by different methods, including chemical vapor deposition (CVD), 10 radio frequency magnetron sputtering, 11 solid-phase synthesis, 12 and pyrolysis.…”

Section: ■ Introductionmentioning

confidence: 99%

Multistage Modulation Formation of Hydrophilic–Hydrophobic Boron Carbon Nitride Nanomaterials

et al. 2023

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Boron carbon nitride (BCN) ternary compounds are attractive due to their wide applications in adsorption, catalysis, protective coatings, etc. A simple way is provided to synthesize BCN materials with multistage modulation of hydrophilic–hydrophobic properties. Hydrophilic BCN nanoparticles with a contact angle of 31° and nearly superhydrophobic BCN sheets with a contact angle of 145° are obtained. The participation of a CuO additive in the synthesis process has the role of tuning morphologies, components, and properties of BCN materials. The addition of CuO would improve the hydrophobicity of BCN due to its microstructure with enhanced surface roughness. The interaction between melamine and boric acid on the surface of CuO(111) is investigated by first-principles calculations based on density functional theory (DFT). The tuned BCN materials have different photoelectric properties also, and their performance as photocatalysts has been verified in photocatalytic reactions for hydrogen from water. The achieved uniform hydrophilic BCN nanoparticles and hydrophobic BCN sheets have the potential for further practical applications.

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Heteroatom-doped biochar for CO2 adsorption: a review of heteroatoms, doping methods, and functions

Sun

Jia

Huo

et al. 2023

Biomass Conv. Bioref.

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Graphitic carbon nitride functionalized with four boron atoms for adsorption and separation of CO2/CH4: DFT calculations

Cited by 7 publications

References 40 publications

Emerging Chemical Functionalization of g-C₃N₄: Covalent/Noncovalent Modifications and Applications

Emerging Chemical Functionalization of g-C₃N₄: Covalent/Noncovalent Modifications and Applications

Multistage Modulation Formation of Hydrophilic–Hydrophobic Boron Carbon Nitride Nanomaterials

Heteroatom-doped biochar for CO2 adsorption: a review of heteroatoms, doping methods, and functions

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Graphitic carbon nitride functionalized with four boron atoms for adsorption and separation of CO2/CH4: DFT calculations

Cited by 7 publications

References 40 publications

Emerging Chemical Functionalization of g-C3N4: Covalent/Noncovalent Modifications and Applications

Emerging Chemical Functionalization of g-C3N4: Covalent/Noncovalent Modifications and Applications

Multistage Modulation Formation of Hydrophilic–Hydrophobic Boron Carbon Nitride Nanomaterials

Heteroatom-doped biochar for CO2 adsorption: a review of heteroatoms, doping methods, and functions

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Emerging Chemical Functionalization of g-C₃N₄: Covalent/Noncovalent Modifications and Applications

Emerging Chemical Functionalization of g-C₃N₄: Covalent/Noncovalent Modifications and Applications