Open AccessTheoretical Study of Ability of Boron Nitride Nanocone to Oxidation of Sulfur Monoxide
Author(s) -
Xuewu Zuo,
Kourosh Behradfar,
JiaBao Liu,
Milad Janghorban Lariche,
Meysam Najafi
Publication year - 2018
Publication title -
acta chimica slovenica
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.289
H-Index - 46
eISSN - 1580-3155
pISSN - 1318-0207
DOI - 10.17344/acsi.2017.3924
Subject(s) - boron nitride , catalysis , carbon monoxide , sulfur , oxide , molecule , nitride , chemistry , chemical engineering , monoxide , inorganic chemistry , materials science , layer (electronics) , nanotechnology , organic chemistry , engineering
In recent years, the discovery of suitable catalyst to oxidation of sulfur monoxide (SO) in normal temperature is a major concern in the industry. In this study, in first step; the boron nitride nanocone (BNNC) with Ge were doped and the surface of Ge-BNNC by using of the O2 molecule were activated. In second step; oxidation of SO on surface of Ge-BNNC through the Langmuir Hinshelwood (LH) and Eley Rideal (ER) mechanisms was investigated. Calculated data reveal that surface of O2-Ge-BNNC oxide the SO molecule with Ge-BNNC-O-O* + SO → Ge-BNNC-O-O*-SO → Ge-BNNC-O* + SO2 and Ge-BNNC-O* + SO → Ge-BNNC + SO2 reactions. It can be concluded, the energy barrier of LH mechanism to oxidation of SO on Ge-BNNC is lower than ER mechanism. Finally, the Ge-BNNC is acceptable catalyst with low price and high performance to oxidation of SO in normal temperature.