2022
DOI: 10.1039/d1cp05179b
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Selective decomposition of hydrazine over metal free carbonaceous materials

Abstract: Herein we report a combined experimental and computational investigation unravelling the hydrazine hydrate decomposition reaction on metal-free catalysts. The study focuses on commercial graphite and two different carbon nanofibers, Pyrolytically...

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Cited by 6 publications
(9 citation statements)
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References 111 publications
(121 reference statements)
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“…This choice is supported by previous reports where SV was identified as the most reactive intrinsic punctual defect for adsorption processes. 65,104,105 With regard to GCN, the employed models (gN and 3pN) mimic its typical grafting sites, while maintaining a simplified representation of a realistic structure. 106,107 Modelling isolated functionalities, namely SV, gN and 3pN, in the carbon lattice is beneficial for the properties rationalization, especially in combination with experiments.…”
Section: Dft Resultsmentioning
confidence: 99%
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“…This choice is supported by previous reports where SV was identified as the most reactive intrinsic punctual defect for adsorption processes. 65,104,105 With regard to GCN, the employed models (gN and 3pN) mimic its typical grafting sites, while maintaining a simplified representation of a realistic structure. 106,107 Modelling isolated functionalities, namely SV, gN and 3pN, in the carbon lattice is beneficial for the properties rationalization, especially in combination with experiments.…”
Section: Dft Resultsmentioning
confidence: 99%
“…The released gaseous products were allowed to pass into a trap containing a 0.05 M HCl aqueous solution to ensure the removal of NH 3 , 65 if any, hence the gas pressure measured during the reaction contained only N 2 and H 2 , enabling us to obtain the molar ratio ( λ ) as by means of the perfect gas law ( pV = nRT ). Therefore, H 2 selectivity was calculated through eqn (4):…”
Section: Experimental Methodsmentioning
confidence: 99%
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“…Therefore, we quantified the evolved gaseous products (H 2 and N 2 ) from the volume of water displaced within the burette. 27…”
Section: Catalytic Testsmentioning
confidence: 99%
“…10,45 Raman spectroscopy evaluated the effect of the functionalization procedures on the catalyst morphology. 27 Commonly, carbon materials present two characteristic bands at around 1600 cm −1 (G band) and 1350 cm −1 (D band), and their intensity ratio (I D /I G ) is commonly used as a descriptor of the defect density. In fact, the G band intensity correlates with structurally ordered graphite domains.…”
Section: Structurementioning
confidence: 99%