| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 7933429 | Physica E: Low-dimensional Systems and Nanostructures | 2018 | 6 Pages |
Abstract
To provide a microcosmic theoretical support for the reduction of formaldehyde in building material by the effect of electric fields, the adsorption between formaldehyde molecule and β-cellobiose was studied by density function theory (DFT). Details of geometric structures, molecule bonds and adsorption energy were discussed respectively. The obtained results indicated the energy of formaldehyde molecule decreased while the energy of β-cellobiose increased with greater electric intensity. In addition, the adsorption energy between formaldehyde molecule and β-cellobiose was greatly influenced by external electric field. The adsorption energy reduced gradually with greater electric intensity, and the changing curve of adsorption energy could be fitted as an exponential function, verified by the experiment. The results of this study confirmed the external electric field would be a good strategy for decreasing formaldehyde within building materials in the microcosmic view.
Related Topics
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Authors
Bo Xu, Zhenqian Chen,