Abstract
AbstractFinding the active sites of suitable metal oxides is a key prerequisite for detecting CH$$_4$$
4
. The purpose of the paper is to investigate the adsorption of CH$$_4$$
4
on intrinsic and oxygen-vacancies CuO (111) and (110) surfaces using density functional theory calculations. The results show that CH$$_4$$
4
has a strong adsorption energy of −0.370 to 0.391 eV at all site on the CuO (110) surface. The adsorption capacity of CH$$_4$$
4
on CuO (111) surface is weak, ranging from −0.156 to −0.325 eV. In the surface containing oxygen vacancies, the adsorption capacity of CuO surface to CH$$_4$$
4
is significantly stronger than that of intrinsic CuO surface. The results indicate that CuO (110) has strong adsorption and charge transfer capacity for CH$$_4$$
4
, which may provide experimental guidance.
Funder
National Natural Science Henan Joint Fund
Natural Science Foundation of Liaoning and Doctor Start-up Fund of Liaoning under Grant
Natural Science Foundation of Henan Province
Publisher
Springer Science and Business Media LLC
Subject
General Earth and Planetary Sciences,General Physics and Astronomy,General Engineering,General Environmental Science,General Materials Science,General Chemical Engineering
Reference38 articles.
1. Zhang M, Li T, Wang HQ, Chen S, Du F, Qin J, Zhang S, Ji L (2006) Characterization of severe acute ocaupational poisoning accidents related to asphyxiating gases in China between. Chin J Ind Med 24:712–715
2. Liu XF, Ren BY, Zhi SJ, Zhao WD, Miao YY, Ji YH (2008) Analysis on incidence of acute occupational toxic accidents in Baoding city during 1994 to 2006. Chin J Ind Med 21:119–120
3. Wu SZ, Shuang SM, Zhang Y, Li ZP, Choi MF, Zhang CH, Dong C (2009) Study on mode-filtered light sensor for methane detection. Chin Chem Lett 20:210–212
4. Dehghani S, Mohammadzadeh M, Sheikhi MH, Moravvej-Farshi MK (2019) Room temperature methane sensor based on single wall CNTs/SnO$$_2$$ nanoparticles. Micro Nano Lett IET 14:815–818
5. Ghanbari R, Safaiee R, Sheikhi MH, Golshan MM, Horastani ZK (2019) Graphene decorated with silver nanoparticles as a low-temperature methane gas sensor. ACS Appl Mater Interfaces 11(24):21795–21806
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