A Cu-modified active carbon fiber significantly promoted H2S and PH3 simultaneous removal at a low reaction temperature

Wang, Yingxu; Ning, Ping; Zhao, Ruheng; Li, Kai; Wang, Chi; Sun, Xin; Song, Xin; Lin, Qiang

doi:10.1007/s11783-021-1425-3

Cited by 14 publications

(3 citation statements)

References 26 publications

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“…It is reported that every year, 4.2 million people are affected by direct exposure to industrial pollutants at levels beyond the safety limits [ 1 ]. Among industrial pollutants, hydrogen-containing substances such as HCN, H 2 S, NH 3 and PH 3 are highly poisonous to humans [ 2 , 3 , 4 , 5 ]. Hydrogen cyanide (HCN) is a poisonous gas with an almond-like odour.…”

Section: Introductionmentioning

confidence: 99%

“…Graphene and graphene-doped materials are among the materials used as sensor materials for toxic and hazardous gases [ 25 , 26 , 27 , 28 , 29 ]. The honeycomb-like structure with a large surface area makes graphene an exceptional material for energy storage [ 23 ]; photonics [ 20 ]; chemical [ 22 ], mechanical [ 30 ] and DNA sensing [ 19 ]; electrocatalysis [ 2 ]; electrochemical sensing [ 31 ]; and electronic [ 19 ] applications. Similarly, other 2D materials such as germanene [ 32 ], transition metal dichalcogenides (TMDs) [ 33 ], silicene [ 34 , 35 , 36 ], phosphorene [ 37 ], etc., also offer abundant adsorption sites for separation and sensing of the desired materials.…”

Section: Introductionmentioning

confidence: 99%

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Covalent Triazine Framework C6N6 as an Electrochemical Sensor for Hydrogen-Containing Industrial Pollutants. A DFT Study

et al. 2023

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Industrial pollutants pose a serious threat to ecosystems. Hence, there is a need to search for new efficient sensor materials for the detection of pollutants. In the current study, we explored the electrochemical sensing potential of a C6N6 sheet for H-containing industrial pollutants (HCN, H2S, NH3 and PH3) through DFT simulations. The adsorption of industrial pollutants over C6N6 occurs through physisorption, with adsorption energies ranging from −9.36 kcal/mol to −16.46 kcal/mol. The non-covalent interactions of analyte@C6N6 complexes are quantified by symmetry adapted perturbation theory (SAPT0), quantum theory of atoms in molecules (QTAIM) and non-covalent interaction (NCI) analyses. SAPT0 analyses show that electrostatic and dispersion forces play a dominant role in the stabilization of analytes over C6N6 sheets. Similarly, NCI and QTAIM analyses also verified the results of SAPT0 and interaction energy analyses. The electronic properties of analyte@C6N6 complexes are investigated by electron density difference (EDD), natural bond orbital analyses (NBO) and frontier molecular orbital analyses (FMO). Charge is transferred from the C6N6 sheet to HCN, H2S, NH3 and PH3. The highest exchange of charge is noted for H2S (−0.026 e−). The results of FMO analyses show that the interaction of all analytes results in changes in the EH-L gap of the C6N6 sheet. However, the highest decrease in the EH-L gap (2.58 eV) is observed for the NH3@C6N6 complex among all studied analyte@C6N6 complexes. The orbital density pattern shows that the HOMO density is completely concentrated on NH3, while the LUMO density is centred on the C6N6 surface. Such a type of electronic transition results in a significant change in the EH-L gap. Thus, it is concluded that C6N6 is highly selective towards NH3 compared to the other studied analytes.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Covalent Triazine Framework C6N6 as an Electrochemical Sensor for Hydrogen-Containing Industrial Pollutants. A DFT Study

et al. 2023

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“…Montemore et al [38] proposed a periodic trend in the of metal surfaces to O 2 activation that metals with a mostly empty d shell, such as Co, Fe, and Rh, presented extremely low adsorption and dissociation barriers. Hence, modification of undercoordinated defect sites through doping with active transition metals has been considered as a promising method to improve the O 2 adsorption capacity and the catalytic performance [39][40][41][42]. Liu et al [43] found a superior photocatalytic reactivity for CuS 4 -modified ZnInS 4 nanosheets due to the better O 2 adsorption ability and more favorable electron transferring.…”

Section: Introductionmentioning

confidence: 99%