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

Luis Miguel Azofra; Douglas Macfarlane; Chenghua Sun

doi:10.1039/c5cc07942j

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

Luis Miguel Azofra, Douglas Macfarlane, Chenghua Sun

School of Chemistry

Research output: Contribution to journal › Article › Research › peer-review

23 Citations (Scopus)

Abstract

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 π-hole generated by the beryllium moieties, and also determines its selectivity towards the production of CH₄.

Original language	English
Pages (from-to)	3548-3551
Number of pages	4
Journal	Chemical Communications
Volume	52
Issue number	17
DOIs	https://doi.org/10.1039/c5cc07942j
Publication status	Published - 28 Feb 2016

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10.1039/c5cc07942j

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

Abstract

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ARC Centre of Excellence for Electromaterials Science

Computer-Aided Design of High-Performance Photocatalysts for Solar Hydrogen Producion Based on Red Titanium Dioxide

Protonic Materials for Green Chemical Futures

Cite this

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

Abstract

Access to Document

Other files and links

Projects

ARC Centre of Excellence for Electromaterials Science

Computer-Aided Design of High-Performance Photocatalysts for Solar Hydrogen Producion Based on Red Titanium Dioxide

Protonic Materials for Green Chemical Futures

Cite this

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