Metal-Free Boron/Phosphorus Co-Doped Nanoporous Carbon for Highly Efficient Benzyl Alcohol Oxidation.

Adv Sci (Weinh)

Key Laboratory of Bio-Based Material Science and Technology of Ministry of Education, Northeast Forestry University, Harbin, 150040, China.

Published: June 2022

An in-depth understanding of the electronic structures of catalytically active centers and their surrounding vicinity is key to clarifying the structure-activity relationship, and thus enabling the design and development of novel metal-free carbon-based materials with desired catalytic performance. In this study, boron atoms are introduced into phosphorus-doped nanoporous carbon via an efficient strategy, so that the resulting material delivers better catalytic performance. The doped B atoms alter the electronic structures of active sites and cause the adjacent C atoms to act as additional active sites that catalyze the reaction. The B/P co-doped nanoporous carbon shows remarkable catalytic performance for benzyl alcohol oxidation, achieving high yield (over 91% within 2 h) and selectivity (95%), as well as low activation energy (32.2 kJ mol ). Moreover, both the conversion and selectivity remain above 90% after five reaction cycles. Density functional theory calculations indicate that the introduction of B to P-doped nanoporous carbon significantly increases the electron density at the Fermi level and that the oxidation of benzyl alcohol occurs via a different reaction pathway with a very low energy barrier. These findings provide important insights into the relationship between catalytic performance and electronic structure for the design of dual-doped metal-free carbon catalysts.

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Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9189657PMC
http://dx.doi.org/10.1002/advs.202200518DOI Listing

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