Items where Author is "Catlow, C. Richard A."

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. and Catlow, C. Richard A. (2019) An experimental and computational IR and hybrid DFT-D3 study of the conformations ofl-lactic and acrylic acid: new insight into the dehydration mechanism of lactic acid to acrylic acid. Physical Chemistry Chemical Physics, 21 (40). pp. 22331-22343.

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.

Laassiri, Said, Zeinalipour-Yazdi, Constantinos D., Catlow, C. Richard A. and Hargreaves, Justin S.J. (2017) Nitrogen transfer properties in tantalum nitride based materials. Catalysis Today, 286. pp. 147-154.

Zeinalipour-Yazdi, Constantinos D. and Catlow, C. Richard A. (2017) A Computational Study of the Heterogeneous Synthesis of Hydrazine on Co3Mo3N. Catalysis Letters, 147 (7). pp. 1820-1826.

Laassiri, Said, Zeinalipour-Yazdi, Constantinos D., Catlow, C. Richard A. and Hargreaves, Justin S.J. (2017) The potential of manganese nitride based materials as nitrogen transfer reagents for nitrogen chemical looping. Applied Catalysis B: Environmental, 223. pp. 60-66.

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., Pullman, David P. and Catlow, C. Richard A. (2016) The sphere-in-contact model of carbon materials. Journal of Molecular Modeling, 22 (1).

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.