Novel B and N Sites of One-Dimensional Boron Nitride Fiber: Efficient Performance and Mechanism in the Formaldehyde Capture Process

Wenjing Yuan; Yaoyao Wu; Tao Qi; Yinhua Wan; Shuping Zhang; Baozhi Zhang; Hengcheng Zhou; Lili Shi; Guan Peng; Shaoyuan Shi

doi:10.1021/acsomega.2c02920

Novel B and N Sites of One-Dimensional Boron Nitride Fiber: Efficient Performance and Mechanism in the Formaldehyde Capture Process

ACS Omega. 2022 Jul 15;7(29):25686-25692. doi: 10.1021/acsomega.2c02920. eCollection 2022 Jul 26.

Authors

Wenjing Yuan^{1

2}, Yaoyao Wu³, Tao Qi^{1

2

4}, Yinhua Wan^{1

2

4}, Shuping Zhang⁵, Baozhi Zhang^{1

2}, Hengcheng Zhou^{1

2}, Lili Shi^{1

2}, Guan Peng^{1

2}, Shaoyuan Shi^{1

2

4}

Affiliations

¹ Ganjiang Innovation Academy, Chinese Academy of Sciences, Ganzhou 341119, People's Republic of China.
² Jiangxi Province Key Laboratory of Cleaner Production of Rare Earths, Ganzhou 341119, People's Republic of China.
³ School of Environmental Science and Engineering, Sun Yat-sen University, Guangzhou 510006, People's Republic of China.
⁴ Institute of Process Engineering, Chinese Academy of Sciences, Beijing 100190, People's Republic of China.
⁵ School of Chemical Engineering and Materials, Changzhou Institute of Technology, Changzhou 213032, People's Republic of China.

Abstract

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.