An intensified pi-hole in beryllium-doped boron nitride meshes: its determinant role in CO2 conversion into hydrocarbon fuels

作者:Azofra Luis Miguel; MacFarlane Douglas R; Sun Chenghua*
来源:Chemical communications, 2016, 52(17): 3548-3551.
DOI:10.1039/c5cc07942j

摘要

DFT investigations on beryllium-doped boron nitride meshes or sheets (BNs) predict the existence of a very reactive kind of novel material capable of spontaneously reducing the first hydrogenation step in the CO2 conversion mechanism. This impressive behaviour appears as a result of the very deep pi-hole generated by the beryllium moieties, and also determines its selectivity towards the production of CH4.

  • 出版日期2016