Abstract:The interaction of triclosan on (8,0) and (5,5) single wall carbon nanotube (SWCNT) was investigated using density functional calculations. The results show that the adsorption of triclosan modifies the electronic properties of pristine (8,0) and (5,5) SWCNT and induced changes in the electronic properties are dependent on the triclosan adsorption site. It was observed through binding energy that triclosan molecule interacts mainly via chemical process in parallel configuration to (8,0) SWCNT, while interactio… Show more
“…For example, the EMI SE of 10 wt% CNT-contained group is between −25 dB and −30 dB. It is surmised that the CNT/TCS-contained group is composed of TCS that adsorbs CNT and thus induces the agglomeration of CNT (Figure 4), 40 which is detrimental to the EMI SE of PP/PVA antibacterial and conductive composite planks.Figure 4.Schematic diagrams of TCS (a) being adsorbed parallel to CNT, (b) being adsorbed to CNT via H atoms, (c) being adsorbed to CNT via O and CI atoms, and (d) being absorbed to CNT via CI atoms. 40 …”
Section: Resultsmentioning
confidence: 99%
“…For example, the EMI SE of 10 wt% CNTcontained group is between À25 dB and À30 dB. It is surmised that the CNT/TCScontained group is composed of TCS that adsorbs CNT and thus induces the agglomeration of CNT (Figure 4), 40 which is detrimental to the EMI SE of PP/PVA antibacterial and conductive composite planks.…”
Section: Crystallinity Of Pp/pva Antibacterial and Conductive Composi...mentioning
Antibacterial materials are one of the important materials in our daily lives, especially in the medicine where antibacterial efficacy is indispensable. Moreover, the precise electronic instrument also requires highly electromagnetic interference shielding effectiveness (EMI SE) and as such to prevent mutual interference. Therefore, the acquisition of antibacterial property and EMI SE is essential. In this study, carbon nanotube (CNT) and triclosan (TCS) are used as conductive and antibacterial substances separately during the production of polypropylene (PP)-based antibacterial and conductive composite planks. The planks are tested for a series of physical property tests, EMI SE measurement, and antibacterial efficacy as related to the CNT content and the TCS content. The test results indicate regardless of whether it is CNT or TCS that is added, the planks exhibit good crystallinity. Furthermore, the presence of TCS contributes good antibacterial efficacy against staphylococcus aureus (S. Aureus), and the antibacterial efficacy effectuated by 0.1 wt% TCS also meets the related EU standard. In addition, the incorporation of both CNT and TCS adversely affects the EMI SE of the planks, but the resulting EMI SE remains to be between −15 dB and −20 dB.
“…For example, the EMI SE of 10 wt% CNT-contained group is between −25 dB and −30 dB. It is surmised that the CNT/TCS-contained group is composed of TCS that adsorbs CNT and thus induces the agglomeration of CNT (Figure 4), 40 which is detrimental to the EMI SE of PP/PVA antibacterial and conductive composite planks.Figure 4.Schematic diagrams of TCS (a) being adsorbed parallel to CNT, (b) being adsorbed to CNT via H atoms, (c) being adsorbed to CNT via O and CI atoms, and (d) being absorbed to CNT via CI atoms. 40 …”
Section: Resultsmentioning
confidence: 99%
“…For example, the EMI SE of 10 wt% CNTcontained group is between À25 dB and À30 dB. It is surmised that the CNT/TCScontained group is composed of TCS that adsorbs CNT and thus induces the agglomeration of CNT (Figure 4), 40 which is detrimental to the EMI SE of PP/PVA antibacterial and conductive composite planks.…”
Section: Crystallinity Of Pp/pva Antibacterial and Conductive Composi...mentioning
Antibacterial materials are one of the important materials in our daily lives, especially in the medicine where antibacterial efficacy is indispensable. Moreover, the precise electronic instrument also requires highly electromagnetic interference shielding effectiveness (EMI SE) and as such to prevent mutual interference. Therefore, the acquisition of antibacterial property and EMI SE is essential. In this study, carbon nanotube (CNT) and triclosan (TCS) are used as conductive and antibacterial substances separately during the production of polypropylene (PP)-based antibacterial and conductive composite planks. The planks are tested for a series of physical property tests, EMI SE measurement, and antibacterial efficacy as related to the CNT content and the TCS content. The test results indicate regardless of whether it is CNT or TCS that is added, the planks exhibit good crystallinity. Furthermore, the presence of TCS contributes good antibacterial efficacy against staphylococcus aureus (S. Aureus), and the antibacterial efficacy effectuated by 0.1 wt% TCS also meets the related EU standard. In addition, the incorporation of both CNT and TCS adversely affects the EMI SE of the planks, but the resulting EMI SE remains to be between −15 dB and −20 dB.
“…These results are in complete agreement with the previous determinations reported in literature. 21 Figures 2a-2e show the bands energy of all configurations shown in Figures 1a-1e. It was observed that the electronic band of pristine SWCNT change little with interaction of 17α-ethinylestradiol molecule.…”
Section: Resultsmentioning
confidence: 99%
“…In a priori work, 21 the authors investigate the effects on the electronic properties of SWCNTs interacting with triclosan molecule using first-principle calculation in different configurations. The results show that carbon nanotubes are promising for triclosan molecule adsorption since it is sensitive to the presence of triclosan molecule and could be used as a filter for wastewater treatment.…”
In this work, a systematic study of 17α-ethinylestradiol and estrone molecules interacting with single wall carbon nanotube is presented by means of first principle calculations. The structural properties, binding energy, charge transfer, and electronic properties were calculated and analyzed to characterize the effect of interaction of 17α-ethinylestradiol and estrone molecules on the nanotube surface. Results show that the molecular structure and electronic character of single wall carbon nanotube were not affected due to the presence of the molecules. It is observed via binding energy calculated that ethinylestradiol and estrone molecules interact weakly with the nanotube. The results are very interesting once that they suggest that nanotubes are sensitive to 17α-ethinylestradiol and estrone molecules which can lead to confection of sensor to detect these molecules.
“…Biochars are very effective adsorbents for organic pollutants removal in aqueous environment. Meanwhile, biochars have the advantages of facile preparation, lower cost, and reutilization of waste (Behera, Oh, & Park, 2010;Castro, Araújo, Nogueira, & Guerini, 2017;Mohd Khori et al, 2018;Tong, Mayer, & Mcnamara, 2016). Biochars effectively remove triclosan from water by sorption with mechanisms mainly including hydrophobicity, hydrogen bonding, and π stacking.…”
Biochar is composed of carbonaceous and inorganic (ash) fractions. The structural properties of carbonaceous fractions and the composition of ash in biochar are both variable with pyrolysis temperature. However, it is unknown whether ash may play different roles in sorption of organic compounds to the carbonaceous fraction of biochars produced at different temperatures. Hence, in this study, the pristine biochars produced at 300–900°C and their corresponding deashed biochars were investigated, and the combined roles of carbonaceous fraction and ash in sorption of triclosan were compared. The results showed that the biochars produced at 300–400°C had high content of uncarbonized organic structure with dominating partition effect. The combination of uncarbonized organic structure and ash had comparable or even higher sorption coefficient (KD) for triclosan at low concentration compared with a single uncarbonized organic structure. However, for the biochars produced at 600–900°C, which were mainly composed of carbonized or graphitized carbon structure, ash had significant effect on triclosan sorption by reducing surface adsorption and pore filling effect. The combination of carbonaceous fraction and ash decreased KD values for triclosan at any tested concentrations. In addition, the results of pH effect on sorption indicated that ash possibly decreased the electrostatic repulsion of deprotonated phenolic hydroxyl between biochars and triclosan. Accordingly, it will be more valuable to design biochars for pollutant sorption from the perspective of combined role of carbonaceous fraction and ash rather than a single role of carbonaceous fraction.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.
