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Deprecated: Implicit conversion from float 209.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 J+Mater+Chem+B 2021 ; 9 (44): 9221-9229 Nephropedia Template TP
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Analysis of 2D nanomaterial BC(3) for COVID-19 biomarker ethyl butyrate sensor #MMPMID34705009
Xia S; Luo X
J Mater Chem B 2021[Nov]; 9 (44): 9221-9229 PMID34705009show ga
Ethyl butyrate (EB) was identified in recent research as a prominent biomarker of COVID-19, as concentrations of EB were higher in exhaled breath of COVID-19 patients. Electronic sensitivities of pristine, Al- and Si-doped BC(3) nanosheets to the EB molecule were investigated in this study using density functional theory. It is found that the pure BC(3) was ineffective in sensing EB due to low adsorption energy and sensitivity. Aluminum- and silicon-doped BC(3) nanosheets were effective in forming a strong interaction with EB and were also sensitive. Our calculations show that the band gaps of the Al-doped and Si-doped BC(3) sheets were significantly decreased upon EB adsorption, which increased the electrical conductance of the sheets and the sensitivity. However, Si-doped BC(3) had a recovery time of almost 22 hours, making it less potent than Al-doped BC(3), which had a recovery time of just 7.7 minutes. The shorter recovery time of the Al-doped BC(3) sheet is due to its moderate adsorption energy of 25.8 kcal mol(-1). These results can help facilitate the development of an EB biosensor for COVID-19 testing and other similar applications.
J+Mater+Chem+B 2021 ; 9 (44): 9221-9229
