@article{kwawu_tia_adei_dzade_catlow_leeuw_2017, 
  title={CO2 activation and dissociation on the low miller index surfaces of pure and Ni-coated iron metal: a DFT study}, 
  volume={19}, 
  DOI={10.1039/c7cp03466k}, 
  abstractNote={<p>We have used spin polarized density functional theory calculations to perform extensive mechanistic studies of CO<sub>2</sub> dissociation into CO and O on the clean Fe(100), (110) and (111) surfaces and on the same surfaces coated by a monolayer of nickel.</p>}, 
  number={29}, 
  publisher={Royal Society of Chemistry (RSC)}, 
  author={Kwawu and Tia and Adei and Dzade and Catlow and Leeuw}, 
  year={2017}
  }