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

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

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ammonia synthesis Co3Mo3N cobalt molybdenum nitride DFT H2 adsorption Mars-van Krevelen N2 adsorption nitrogen activation Ta3N5 tantalum nitride The potential of manganese nitride based materials as nitrogen transfer reagents for nitrogen chemical looping
Number of items: 22.

ammonia synthesis

Zeinalipour-Yazdi, Constantinos D. ORCID logoORCID: https://orcid.org/0000-0002-8388-1549, 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. ISSN 1463-9076 (Print), 1463-9084 (Online) (doi:10.1039/C8CP04216K)

Zeinalipour-Yazdi, Constantinos D. ORCID logoORCID: https://orcid.org/0000-0002-8388-1549, 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. ISSN 1932-7447 (Print), 1932-7455 (Online) (doi:10.1021/acs.jpcc.7b12364)

Zeinalipour-Yazdi, Constantinos D. ORCID logoORCID: https://orcid.org/0000-0002-8388-1549, Hargreaves, Justin S. J., Laassiri, Said and Catlow, C. Richard A. (2017) DFT-D3 study of H 2 and N 2 chemisorption over cobalt promoted Ta 3 N 5-(100), (010) and (001) surfaces. Physical Chemistry Chemical Physics, 2017 (19). pp. 11968-11974. ISSN 1463-9076 (Print), 1463-9084 (Online) (doi:10.1039/C7CP00806F)

Zeinalipour-Yazdi, Constantinos D. ORCID logoORCID: https://orcid.org/0000-0002-8388-1549, 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. ISSN 1932-7447 (Print), 1932-7447 (Online) (doi:10.1021/acs.jpcc.6b04748)

Laassiri, Said, Zeinalipour-Yazdi, Constantinos D. ORCID logoORCID: https://orcid.org/0000-0002-8388-1549, Catlow, C. Richard A. and Hargreaves, Justin S. J. (2016) Nitrogen transfer properties in tantalum nitride based materials. Catalysis Today, 286. pp. 147-154. ISSN 0920-5861 (doi:10.1016/j.cattod.2016.06.035)

Zeinalipour-Yazdi, Constantinos D. ORCID logoORCID: https://orcid.org/0000-0002-8388-1549, 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. ISSN 1932-7447 (Print), 1932-7455 (Online) (doi:10.1021/acs.jpcc.5b06811)

Co3Mo3N

Zeinalipour-Yazdi, Constantinos D. ORCID logoORCID: https://orcid.org/0000-0002-8388-1549, 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. ISSN 1463-9076 (Print), 1463-9084 (Online) (doi:10.1039/C8CP04216K)

Zeinalipour-Yazdi, Constantinos D. ORCID logoORCID: https://orcid.org/0000-0002-8388-1549, 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. ISSN 1932-7447 (Print), 1932-7455 (Online) (doi:10.1021/acs.jpcc.7b12364)

Zeinalipour-Yazdi, Constantinos D. ORCID logoORCID: https://orcid.org/0000-0002-8388-1549, 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. ISSN 1932-7447 (Print), 1932-7447 (Online) (doi:10.1021/acs.jpcc.6b04748)

cobalt molybdenum nitride

Zeinalipour-Yazdi, Constantinos D. ORCID logoORCID: https://orcid.org/0000-0002-8388-1549, 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. ISSN 1932-7447 (Print), 1932-7447 (Online) (doi:10.1021/acs.jpcc.6b04748)

DFT

Zeinalipour-Yazdi, Constantinos D. ORCID logoORCID: https://orcid.org/0000-0002-8388-1549, Hargreaves, Justin S. J., Laassiri, Said and Catlow, C. Richard A. (2017) DFT-D3 study of H 2 and N 2 chemisorption over cobalt promoted Ta 3 N 5-(100), (010) and (001) surfaces. Physical Chemistry Chemical Physics, 2017 (19). pp. 11968-11974. ISSN 1463-9076 (Print), 1463-9084 (Online) (doi:10.1039/C7CP00806F)

H2 adsorption

Zeinalipour-Yazdi, Constantinos D. ORCID logoORCID: https://orcid.org/0000-0002-8388-1549, Hargreaves, Justin S. J., Laassiri, Said and Catlow, C. Richard A. (2017) DFT-D3 study of H 2 and N 2 chemisorption over cobalt promoted Ta 3 N 5-(100), (010) and (001) surfaces. Physical Chemistry Chemical Physics, 2017 (19). pp. 11968-11974. ISSN 1463-9076 (Print), 1463-9084 (Online) (doi:10.1039/C7CP00806F)

Mars-van Krevelen

Zeinalipour-Yazdi, Constantinos D. ORCID logoORCID: https://orcid.org/0000-0002-8388-1549, 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. ISSN 1932-7447 (Print), 1932-7455 (Online) (doi:10.1021/acs.jpcc.5b06811)

N2 adsorption

Zeinalipour-Yazdi, Constantinos D. ORCID logoORCID: https://orcid.org/0000-0002-8388-1549, Hargreaves, Justin S. J., Laassiri, Said and Catlow, C. Richard A. (2017) DFT-D3 study of H 2 and N 2 chemisorption over cobalt promoted Ta 3 N 5-(100), (010) and (001) surfaces. Physical Chemistry Chemical Physics, 2017 (19). pp. 11968-11974. ISSN 1463-9076 (Print), 1463-9084 (Online) (doi:10.1039/C7CP00806F)

nitrogen activation

Zeinalipour-Yazdi, Constantinos D. ORCID logoORCID: https://orcid.org/0000-0002-8388-1549, Hargreaves, Justin S. J., Laassiri, Said and Catlow, C. Richard A. (2017) DFT-D3 study of H 2 and N 2 chemisorption over cobalt promoted Ta 3 N 5-(100), (010) and (001) surfaces. Physical Chemistry Chemical Physics, 2017 (19). pp. 11968-11974. ISSN 1463-9076 (Print), 1463-9084 (Online) (doi:10.1039/C7CP00806F)

Zeinalipour-Yazdi, Constantinos D. ORCID logoORCID: https://orcid.org/0000-0002-8388-1549, 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. ISSN 1932-7447 (Print), 1932-7447 (Online) (doi:10.1021/acs.jpcc.6b04748)

Laassiri, Said, Zeinalipour-Yazdi, Constantinos D. ORCID logoORCID: https://orcid.org/0000-0002-8388-1549, Catlow, C. Richard A. and Hargreaves, Justin S. J. (2016) Nitrogen transfer properties in tantalum nitride based materials. Catalysis Today, 286. pp. 147-154. ISSN 0920-5861 (doi:10.1016/j.cattod.2016.06.035)

Zeinalipour-Yazdi, Constantinos D. ORCID logoORCID: https://orcid.org/0000-0002-8388-1549, 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. ISSN 1932-7447 (Print), 1932-7455 (Online) (doi:10.1021/acs.jpcc.5b06811)

Ta3N5

Zeinalipour-Yazdi, Constantinos D. ORCID logoORCID: https://orcid.org/0000-0002-8388-1549, Hargreaves, Justin S. J., Laassiri, Said and Catlow, C. Richard A. (2017) DFT-D3 study of H 2 and N 2 chemisorption over cobalt promoted Ta 3 N 5-(100), (010) and (001) surfaces. Physical Chemistry Chemical Physics, 2017 (19). pp. 11968-11974. ISSN 1463-9076 (Print), 1463-9084 (Online) (doi:10.1039/C7CP00806F)

tantalum nitride

Zeinalipour-Yazdi, Constantinos D. ORCID logoORCID: https://orcid.org/0000-0002-8388-1549, Hargreaves, Justin S. J., Laassiri, Said and Catlow, C. Richard A. (2017) DFT-D3 study of H 2 and N 2 chemisorption over cobalt promoted Ta 3 N 5-(100), (010) and (001) surfaces. Physical Chemistry Chemical Physics, 2017 (19). pp. 11968-11974. ISSN 1463-9076 (Print), 1463-9084 (Online) (doi:10.1039/C7CP00806F)

Laassiri, Said, Zeinalipour-Yazdi, Constantinos D. ORCID logoORCID: https://orcid.org/0000-0002-8388-1549, Catlow, C. Richard A. and Hargreaves, Justin S. J. (2016) Nitrogen transfer properties in tantalum nitride based materials. Catalysis Today, 286. pp. 147-154. ISSN 0920-5861 (doi:10.1016/j.cattod.2016.06.035)

The potential of manganese nitride based materials as nitrogen transfer reagents for nitrogen chemical looping

Laassiri, Said, Zeinalipour-Yazdi, Constantinos D. ORCID logoORCID: https://orcid.org/0000-0002-8388-1549, 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. ISSN 0926-3373 (doi:10.1016/j.apcatb.2017.04.073)

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