Outputs (4)

Reversible adsorption and confinement of nitrogen dioxide within a robust porous metal-organic framework (2018)
Journal Article
Han, X., Godfrey, H. G., Briggs, L., Davies, A. J., Cheng, Y., Daemen, L. L., Sheveleva, A. M., Tuna, F., McInnes, E. J., Sun, J., Drathen, C., George, M. W., Ramirez-Cuesta, A. J., Thomas, K. M., Schröder, M., & Yang, S. (2018). Reversible adsorption and confinement of nitrogen dioxide within a robust porous metal-organic framework. Nature Materials, 17, 691-696. https://doi.org/10.1038/s41563-018-0104-7

Nitrogen dioxide (NO2) is a major air pollutant causing significant environmental and health problems. We report reversible adsorption of NO2 in a robust metal–organic framework. Under ambient conditions, MFM-300(Al) exhibits a reversible NO2 isother... Read More about Reversible adsorption and confinement of nitrogen dioxide within a robust porous metal-organic framework.

UN sustainable development goals: How can sustainable/green chemistry contribute? By doing things differently (2018)
Journal Article
Poliakoff, M., Licence, P., & George, M. W. (2018). UN sustainable development goals: How can sustainable/green chemistry contribute? By doing things differently. Current Opinion in Green and Sustainable Chemistry, 13, 146-149. https://doi.org/10.1016/j.cogsc.2018.04.011

Until now, much Green and Sustainable Chemistry has been focused on how chemicals are made. Here we suggest that, if chemistry is to contribute effectively to achieving the SDGs, we need to change the way that things are done at both ends of the chem... Read More about UN sustainable development goals: How can sustainable/green chemistry contribute? By doing things differently.

Basis sets for the calculation of core-electron binding energies (2018)
Journal Article
Hanson-Heine, M. W., George, M. W., & Besley, N. A. (2018). Basis sets for the calculation of core-electron binding energies. Chemical Physics Letters, 699, https://doi.org/10.1016/j.cplett.2018.03.066

Core-electron binding energies (CEBEs) computed within a !self-consistent field approach require large basis sets to achieve convergence with respect to the basis set limit. It is shown that supplementing a basis set with basis functions from the cor... Read More about Basis sets for the calculation of core-electron binding energies.

Density functional theory calculations of the non-resonant and resonant X-ray emission spectroscopy of carbon fullerenes and nanotubes (2018)
Journal Article
Hanson-Heine, M. W., George, M. W., & Besley, N. A. (in press). Density functional theory calculations of the non-resonant and resonant X-ray emission spectroscopy of carbon fullerenes and nanotubes. Chemical Physics Letters, https://doi.org/10.1016/j.cplett.2018.02.028

The non-resonant X-ray emission spectroscopy of fullerenes and carbon nanotubes is studied with density functional theory in conjunction with short-range corrected functionals. For C60 and C70 the X-ray emission spectra are insensitive to modest stru... Read More about Density functional theory calculations of the non-resonant and resonant X-ray emission spectroscopy of carbon fullerenes and nanotubes.