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机译:Effect of the Si, Al and B doping on the sensing behaviour of carbon nanotubes toward ethylene oxide: a computational study
Univ Kashan, Dept Chem, Kashan, Iran;
Adsorption; DFT; ethylene oxide; doped CNTs; gas sensor; NONCOVALENT INTERACTIONS; HYDROGEN ADSORPTION; AB-INITIO; GAS; MOLECULES; SENSORS; ABSENCE; ENERGY;