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

Adsorption ◽  
2020 ◽  
Vol 26 (4) ◽  
pp. 597-605
Author(s):  
Marisol Ibarra-Rodríguez ◽  
Mario Sánchez
Keyword(s):  
Dft Calculations ◽  
Carbon Nitride ◽  
Graphitic Carbon ◽  
Graphitic Carbon Nitride ◽  
Separation Of Co2

scholarly journals DFT study of superhalogen and superalkali doped graphitic carbon nitride and its non-linear optical properties

RSC Advances ◽  
2021 ◽  
Vol 11 (14) ◽  
pp. 7779-7789 ◽  
Author(s):  
Asmat Ullah Khan ◽  
Rasheed Ahmad Khera ◽  
Naveed Anjum ◽  
Rao Aqil Shehzad ◽  
Saleem Iqbal ◽  
...  
Keyword(s):  
Optical Properties ◽  
Dft Calculations ◽  
Nonlinear Optical ◽  
Carbon Nitride ◽  
Graphitic Carbon ◽  
Graphitic Carbon Nitride ◽  
Dft Study ◽  
Nlo Properties ◽  
Non Linear ◽  
Linear Optical Properties

DFT calculations are carried out to investigate nonlinear optical (NLO) properties of superhalogen (BCl4) and superalkali (NLi4) doped graphitic carbon nitride (GCN).

Metal Doped-C3N4/Fe2O4: Efficient and Versatile Heterogenous Catalysts for Organic Transformations

2019 ◽  
Vol 23 (12) ◽  
pp. 1284-1306
Author(s):  
Vijai K. Rai ◽  
Fooleswar Verma ◽  
Suhasini Mahata ◽  
Smita R. Bhardiya ◽  
Manorama Singh ◽  
...  
Keyword(s):  
Ring Opening ◽  
Carbon Nitride ◽  
Addition Reaction ◽  
High Surface ◽  
Graphitic Carbon ◽  
Graphitic Carbon Nitride ◽  
Organic Transformations ◽  
Reduction Reactions ◽  
Activation Reaction ◽  
Metal Doped

The polymeric graphitic carbon nitride (g-C3N4) has been one of the interesting earth abundant elements. Though g-C3N4 finds application as a photocatalyst, its photocatalytic behaviour is limited because of low efficiency, mainly due to rapid charge recombination. To overcome this problem, several strategies have been developed including doping of metal/non-metal in the cavity of g-C3N4. Moreover, the CoFe2O4 NPs have been used in many organic transformations because of its high surface area and easy separation due to its magnetic nature. This review describes the role of cobalt ferrite as magnetic nanoparticles and metal-doped carbon nitride as efficient heterogeneous catalysts for new carbon-carbon and carbon-hetero atom bond formation followed by heterocyclization. Reactions which involved new catalysts for selective activation of readily available substrates has been reported herein. Since nanoparticles enhance the reactivity of catalyst due to higher catalytic area, they have been employed in various reactions such as addition reaction, C-H activation reaction, coupling reaction, cyclo-addition reaction, multi-component reaction, ring-opening reaction, oxidation reaction and reduction reactions etc. The driving force for choosing this topic is based-on huge number of good publications including different types of spinels/metal doped-/graphitic carbon nitride reported in the literature and due to interest of synthetic community in recent years. This review certainly will represent the present status in organic transformation and for exploring further their catalytic efficiency to new organic transformations involving C-H activation reaction through coupling, cyclo-addition, multi-component, ring-opening, oxidation and reduction reactions.

scholarly journals Mono-dispersed Ag nanoparticles decorated graphitic carbon nitride: An excellent lubricating additive as PPESK composite film

Friction ◽  
2021 ◽  
Author(s):  
Beibei Chen ◽  
Mengjie Zhang ◽  
Kan Zhang ◽  
Zhe Dong ◽  
Jiaye Li ◽  
...  
Keyword(s):  
Composite Film ◽  
Ag Nanoparticles ◽  
Carbon Nitride ◽  
Graphitic Carbon ◽  
Graphitic Carbon Nitride ◽  
Great Promise ◽  
Theoretical Simulation ◽  
Heavy Loads ◽  
20 Nm ◽  
Ball On Disc

AbstractStudies show that two dimensional (2D) nanomaterial and its hybrid have a great promise in tribology for the special laminar microstructure. However, the majority of performed investigations about 2D graphitic carbon nitride (g-C3N4) nanosheets are most focused on energy storage, catalysis, adsorption, rarely tribology. In the present study, g-C3N4 supporting mono-dispersed Ag nanoparticle hybrid (g-C3N4/Ag) is prepared, and its microstructure and chemical composition are determined. More specifically, the tribological performance as the lubricating additive of poly phthalazinone ether sulfone ketone (PPESK) composite is investigated using the ball-on-disc friction tester. Moreover, the corresponding enhancement mechanism is well proposed based on the experimental analysis and theoretical simulation. Obtained results show that Ag nanoparticles with a size of about 10–20 nm are homogeneously anchored on g-C3N4 nanosheets, favoring for good compatibility between g-C3N4/Ag and PPESK. It is found that when 0.3 wt% of g-C3N4/Ag is added to PPESK, the friction coefficient and wear rate of PPESK decrease by 68.9% and 97.1%, respectively. These reductions are mainly attributed to the synergistic self-lubricating effect of Ag nanoparticles and g-C3N4 nanosheet, the formation of transfer film, as well as the limited effect of g-C3N4/Ag on the shear deformation of PPESK composite film. Furthermore, it is found that the proposed g-C3N4/Ag-PPESK composite still keeps reasonable friction-reducing and wear-resistant properties under heavy loads and high rotating speeds. The present study demonstrates that the proposed g-C3N4/Ag hybrid is an excellent lubricating additive for polymer composites.

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