Sequestration of CO2 emitted from coal-fired power stations or industrial manufacturing plants is one way of removing CO2 from the atmosphere. An ideal CO2 sequestration material should have large surface areas and strong adsorption sites that are accessible for ambient CO2 gas.
Yoon Sup Lee and co-workers, Korea Advanced Institute of Science and Technology, have used ab initio calculations to analyze defect sites in boron nitride nanotubes (BNNT) for CO2 absorption. They found that the protruding geometry of the boron antisite (BN), in which a boron atom sits at the original nitrogen site and is surrounded by three boron atoms, facilitates CO2 adsorption by reducing steric hindrance from the BNNT side wall.
The chemisorption energies on the BN sites are greater than the standard free energy of gaseous CO2, i.e., 0.67 eV at 300 K. This is implies that boron-rich BNNT should be able to capture CO2 at ambient conditions.
- Ambient Carbon Dioxide Capture by Boron-Rich Boron Nitride Nanotube
H. Choi, Y. C. Park, Y.-H. Kim, Y. S. Lee,
J. Am. Chem. Soc. 2011.