催化作用
电负性
材料科学
密度泛函理论
氮化硼
硼
锌
纳米颗粒
化学工程
多孔性
纳米技术
无机化学
化学
计算化学
有机化学
冶金
复合材料
工程类
作者
Peiwen Wu,Shize Yang,Wenshuai Zhu,Hongping Li,Yanhong Chao,Huiyuan Zhu,Yan Zhao,Sheng Dai
出处
期刊:Small
[Wiley]
日期:2017-10-05
卷期号:13 (44)
被引量:67
标识
DOI:10.1002/smll.201701857
摘要
Tailoring terminated edge of hexagonal boron nitride (h-BN) for enhancing catalysis has turned to be an imperative for the rational design of a highly active aerobic catalyst. Herein, a tailoring N-terminated porous BN (P-BN) strategy is reported with a zinc (Zn) salt as a dual-functional template. The Zn salt acts as both an in situ template and an N-terminated defective edges directing agent. The zinc salt template turns to Zn nanoparticles (Zn NPs) and functions as physical spacers, which are subsequently removed at a higher temperature, for producing P-BN, whose high surface area is high to 1579 m2 g-1 . Moreover, because of the lower electronegativity of Zn, boron (B) atoms are partly replaced by Zn atoms and ultimately preferred to N-terminated edges with the volatilization of Zn NPs. Owing to the moderate dissociative energy of oxygen atoms on N-terminated edges, the N-terminated edges are proved to be the origin of an enhanced aerobic catalytic activity by density functional theory (DFT) calculations. Moreover, the DFT calculation result is experimentally verified.
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