TY - JOUR ID - 85212 TI - The Possibility of Selective Sensing of the Straight-Chain Alcohols (Including Methanol to n-Pentanol) Using the C20 Fullerene and C18NB Nano Cage JO - Chemical Review and Letters JA - CRL LA - en SN - 2676-7279 AU - Babanezhad, Esmaeil AU - Beheshti, Abolghasem AD - Department of Environmental Health, Faculty of Health, Mazandaran University of Medical Sciences, Sari, Ir AD - Department of Chemistry, Payame Noor University (PNU), P. O. Box 19395-3697, Tehran, Iran Y1 - 2018 PY - 2018 VL - 1 IS - 2 SP - 82 EP - 88 KW - Selective sensing KW - Straight-Chain Alcohols KW - Uing the C20 Fullerene KW - C18NB Nano Cage DO - 10.22034/crl.2018.85212 N2 - Alcohol with its highly flammable nature to produce CO, and CO2, and also its greenhouse gas emissions, has considerable effects in changing the ecosystem of earth. The high volumes of annual production of this species, as well as its powerful effects on tropospheric changes, have amplified its adverse impacts. Due to these, in this project, by examining the possibility of C20 fullerene (and its nitrogen-boron decorated form (C18NB)) in selective sensing of the low weight straight-chain alcohols (including methanol to n-pentanol), we have attempted to find a new approach for detecting those species. The results show that the C18NB cage senses the existence of methanol (ΔEg= 0.090 eV) better than the C20 fullerene (ΔEg= -0.037 eV). Also, the results indicate that both the C20 fullerene and the C18NB nanocage could sense methanol, clearer and more selective than other mentioned alcohols. Moreover, the results show, that adsorption of methanol by the two mentioned sorbents is thermodynamically more favorable compared to the other alcohols. Also, adsorption of this alcohol by C18NB is significantly favorable than that of C20 fullerene (in view of thermodynamics) UR - https://www.chemrevlett.com/article_85212.html L1 - https://www.chemrevlett.com/article_85212_44776b59409237ae67a2ec780bfe0437.pdf ER -