Density Functional Theory Study of Cu-Modified B12N12 Nanocage as a Chemical Sensor for Carbon Monoxide Gas
Author:
Affiliation:
1. Universidade Estadual do Maranhão, 65055-310, São Luís, MA, Brazil
2. Universidade Federal do Maranhão, 65080-805, São Luís, MA, Brazil
Funder
Funda??o de Amparo ? Pesquisa e ao Desenvolvimento Cient?fico e Tecnol?gico do Maranh?o
Conselho Nacional de Desenvolvimento Cient?fico e Tecnol?gico
Coordena??o de Aperfei?oamento de Pessoal de N?vel Superior
Publisher
American Chemical Society (ACS)
Subject
Inorganic Chemistry,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.inorgchem.2c01621
Reference77 articles.
1. First-principles study of the adsorption behavior of Octyl-β-D-xyloside surfactant on pristine Al12N12 and B12N12 nanocages
2. Influence of the adsorption of toxic agents on the optical and electronic properties of B12N12 fullerene in the presence and absence of an external electric field
3. Evaluate the potential utilization of B24N24 fullerene in the recognition of COS, H2S, SO2, and CS2 gases (environmental pollution)
4. Theoretical assessment of phosgene adsorption behavior onto pristine, Al- and Ga-doped B12N12 and B16N16 nanoclusters
5. Adsorption of cyanogen chloride on the surface of boron nitride nanotubes for CNCl sensing
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