Items where Author is "Hargreaves, Justin S. J."

Article

Higham, Michael D., Zeinalipour-Yazdi, Constantinos D., Hargreaves, Justin S. J. and Catlow, C. Richard A. (2022) Mechanism of ammonia synthesis on Fełesssub\greater3łess/sub\greaterMołesssub\greater3łess/sub\greaterN. Faraday Discussions, 243. pp. 77-96.

Zeinalipour-Yazdi, Constantinos D., Hargreaves, Justin S. J., Laassiri, Said and Catlow, C. Richard A. (2021) A comparative analysis of the mechanisms of ammonia synthesis on various catalysts using density functional theory. Royal Society Open Science, 8 (11).

Laassiri, Said, Zeinalipour-Yazdi, Constantinos D., Bion, Nicolas, Catlow, C. Richard A. and Hargreaves, Justin S. J. (2020) Combination of theoretical and in situ experimental investigations of the role of lithium dopant in manganese nitride: a two-stage reagent for ammonia synthesis. Faraday Discussions, 229. pp. 281-296.

Zeinalipour-Yazdi, Constantinos D., Hargreaves, Justin S. J., Laassiri, Said and Catlow, C. Richard A. (2018) The integration of experiment and computational modelling in heterogeneously catalysed ammonia synthesis over metal nitrides. Physical Chemistry Chemical Physics, 20 (34). pp. 21803-21808.

Zeinalipour-Yazdi, Constantinos D., Hargreaves, Justin S. J. and Catlow, C. Richard A. (2018) Low-T Mechanisms of Ammonia Synthesis on Co3Mo3N. The Journal of Physical Chemistry C, 122 (11). pp. 6078-6082.

Zeinalipour-Yazdi, Constantinos D., Hargreaves, Justin S. J., Laassiri, Said and Catlow, C. Richard A. (2017) DFT-D3 study of H2 and N2 chemisorption over cobalt promoted Ta3N5-(100), (010) and (001) surfaces. Physical Chemistry Chemical Physics, 19 (19). pp. 11968-11974.

Zeinalipour-Yazdi, Constantinos D., Hargreaves, Justin S. J. and Catlow, C. Richard A. (2016) DFT-D3 Study of Molecular N2 and H2 Activation on Co3Mo3N Surfaces. The Journal of Physical Chemistry C, 120 (38). pp. 21390-21398.

Zeinalipour-Yazdi, Constantinos D., Hargreaves, Justin S. J. and Catlow, C. Richard A. (2015) Nitrogen Activation in a Mars–van Krevelen Mechanism for Ammonia Synthesis on Co3Mo3N. The Journal of Physical Chemistry C, 119 (51). pp. 28368-28376.