A DFT study of planar vs. corrugated graphene-like carbon nitride (g-C3N4) and its role in the catalytic performance of CO2 conversion-Reference-Cited by-同舟云学术

A DFT study of planar vs. corrugated graphene-like carbon nitride (g-C3N4) and its role in the catalytic performance of CO2 conversion

Published:2016 Issue:27 Volume:18 Page:18507-18514
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Azofra Luis Miguel¹²³⁴⁵,MacFarlane Douglas R.¹²³⁴⁵,Sun Chenghua¹²³⁴⁵

Affiliation:

1. ARC Centre of Excellence for Electromaterials Science (ACES)

2. School of Chemistry

3. Faculty of Science

4. Monash University

5. Clayton

Abstract

Graphene-like carbon nitride (g-C₃N₄), a metal-free 2D material that is of interest as a CO₂ reduction catalyst, is stabilised by corrugation in order to minimise the electronic repulsions experienced by the N lone pairs located in their structural holes.

Funder

Australian Research Council

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2016/CP/C6CP02453J

Reference55 articles.

1. Prediction of New Low Compressibility Solids

2. Synthesis of Nitrogen-Rich Carbon Nitride Networks from an Energetic Molecular Azide Precursor

3. Powder Synthesis and Characterization of Amorphous Carbon Nitride