Identification of adsorption centers with atomic levels
of adsorbents
is crucial to study the adsorption of formaldehyde (HCHO), especially
for an in-depth understanding of the mechanism of HCHO capture. Herein,
we investigate the HCHO adsorption performance of one-dimensional
(1D) nanoporous boron nitride (BN) fiber, and explore the adsorption
mechanism by density functional theory (DFT) calculations, including
adsorption energy change and Bader charge change, and experimental
study as well. Research shows that the 1D nanoporous BN fiber possesses
a high concentration of Lewis pairs, which act as Lewis acid and Lewis
base sites associated with the fiber’s electron-deficient and
electron-rich features. It is worth noting that the HCHO removal efficiency
of a typical sample is as high as 91%. This work may open the door
to the field of adsorption of other pollutants by constructing Lewis
pairs in the future.
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