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The adsorption of CO, CO2, CH4, H2, N2 and N2O on armchair (5,5) boron nitride nanotube (BNNT) with and without the doping of transition metals (TM), i.e. Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu or Zn, was investigated using the density functional theory calculation. The results indicate all the considered gases are physically adsorbed by weak interaction on the pure BNNT, revealing that pure BNNT has poor sensing performance for these gases. TM are then doped in the B or N vacancy of BNNT to improve the sensitivity and selectivity. As a result,
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