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

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

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acrylic acid ammonia synthesis carbon materials Catalytic mechanisms Characterization and analytical techniques Co3Mo3N cobalt molybdenum nitride conformations DFT fullerene H2 adsorption Heterogeneous catalysis IR spectroscopy lactic acid lactic acid dehydration mechanism Low-T Mechanisms of Ammonia Synthesis on Co3Mo3N Mars-van Krevelen Materials science N2 adsorption Nanoparticles nitrogen activation Sphere-in-contact model Ta3N5 tantalum nitride The potential of manganese nitride based materials as nitrogen transfer reagents for nitrogen chemical looping
Number of items: 37.

acrylic acid

Zeinalipour-Yazdi, Constantinos D. ORCID logoORCID: https://orcid.org/0000-0002-8388-1549 and Catlow, C. Richard A. (2019) An experimental and computational IR and hybrid DFT-D3 study of the conformations of L-lactic and acrylic acid: new insight to the dehydration mechanism of lactic acid to acrylic acid. Physical Chemistry Chemical Physics, 21 (40). pp. 22331-22343. ISSN 1463-9076 (Print), 1463-9084 (Online) (doi:10.1039/C9CP02968K)

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)

carbon materials

Zeinalipour-Yazdi, Constantinos D. ORCID logoORCID: https://orcid.org/0000-0002-8388-1549, Pullman, David P. and Catlow, C. Richard A. (2016) The sphere-in-contact model of carbon materials. Journal of Molecular Modeling, 22:40. ISSN 1610-2940 (Print), 0948-5023 (Online) (doi:10.1007/s00894-015-2895-7)

Catalytic mechanisms

Dann, Ellie K., Gibson, Emma K., Blackmore, Rachel H., Catlow, C. Richard A., Collier, Paul, Chutia, Arunabhiram, Eralp Erden, Tugce, Hadacare, Christopher, Kroner, Anna, Nachtegaal, Martin, Raj, Agnes, Rogers, Scott M., Taylor, S. F. Rebecca, Thompson, Paul, Tierney, George F., Zeinalipour-Yazdi, Constantinos D. ORCID logoORCID: https://orcid.org/0000-0002-8388-1549, Goguet, Alexandre and Wells, Peter P. (2019) Structural selectivity of supported Pd nanoparticles for catalytic NH3 oxidation resolved using combined operando spectroscopy. Nature Catalysis, 2. pp. 157-163. ISSN 2520-1158 (Online) (doi:10.1038/s41929-018-0213-3)

Characterization and analytical techniques

Dann, Ellie K., Gibson, Emma K., Blackmore, Rachel H., Catlow, C. Richard A., Collier, Paul, Chutia, Arunabhiram, Eralp Erden, Tugce, Hadacare, Christopher, Kroner, Anna, Nachtegaal, Martin, Raj, Agnes, Rogers, Scott M., Taylor, S. F. Rebecca, Thompson, Paul, Tierney, George F., Zeinalipour-Yazdi, Constantinos D. ORCID logoORCID: https://orcid.org/0000-0002-8388-1549, Goguet, Alexandre and Wells, Peter P. (2019) Structural selectivity of supported Pd nanoparticles for catalytic NH3 oxidation resolved using combined operando spectroscopy. Nature Catalysis, 2. pp. 157-163. ISSN 2520-1158 (Online) (doi:10.1038/s41929-018-0213-3)

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)

conformations

Zeinalipour-Yazdi, Constantinos D. ORCID logoORCID: https://orcid.org/0000-0002-8388-1549 and Catlow, C. Richard A. (2019) An experimental and computational IR and hybrid DFT-D3 study of the conformations of L-lactic and acrylic acid: new insight to the dehydration mechanism of lactic acid to acrylic acid. Physical Chemistry Chemical Physics, 21 (40). pp. 22331-22343. ISSN 1463-9076 (Print), 1463-9084 (Online) (doi:10.1039/C9CP02968K)

DFT

Zeinalipour-Yazdi, Constantinos D. ORCID logoORCID: https://orcid.org/0000-0002-8388-1549 and Catlow, C. Richard A. (2019) An experimental and computational IR and hybrid DFT-D3 study of the conformations of L-lactic and acrylic acid: new insight to the dehydration mechanism of lactic acid to acrylic acid. Physical Chemistry Chemical Physics, 21 (40). pp. 22331-22343. ISSN 1463-9076 (Print), 1463-9084 (Online) (doi:10.1039/C9CP02968K)

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)

fullerene

Zeinalipour-Yazdi, Constantinos D. ORCID logoORCID: https://orcid.org/0000-0002-8388-1549, Pullman, David P. and Catlow, C. Richard A. (2016) The sphere-in-contact model of carbon materials. Journal of Molecular Modeling, 22:40. ISSN 1610-2940 (Print), 0948-5023 (Online) (doi:10.1007/s00894-015-2895-7)

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)

Heterogeneous catalysis

Dann, Ellie K., Gibson, Emma K., Blackmore, Rachel H., Catlow, C. Richard A., Collier, Paul, Chutia, Arunabhiram, Eralp Erden, Tugce, Hadacare, Christopher, Kroner, Anna, Nachtegaal, Martin, Raj, Agnes, Rogers, Scott M., Taylor, S. F. Rebecca, Thompson, Paul, Tierney, George F., Zeinalipour-Yazdi, Constantinos D. ORCID logoORCID: https://orcid.org/0000-0002-8388-1549, Goguet, Alexandre and Wells, Peter P. (2019) Structural selectivity of supported Pd nanoparticles for catalytic NH3 oxidation resolved using combined operando spectroscopy. Nature Catalysis, 2. pp. 157-163. ISSN 2520-1158 (Online) (doi:10.1038/s41929-018-0213-3)

IR spectroscopy

Zeinalipour-Yazdi, Constantinos D. ORCID logoORCID: https://orcid.org/0000-0002-8388-1549 and Catlow, C. Richard A. (2019) An experimental and computational IR and hybrid DFT-D3 study of the conformations of L-lactic and acrylic acid: new insight to the dehydration mechanism of lactic acid to acrylic acid. Physical Chemistry Chemical Physics, 21 (40). pp. 22331-22343. ISSN 1463-9076 (Print), 1463-9084 (Online) (doi:10.1039/C9CP02968K)

lactic acid

Zeinalipour-Yazdi, Constantinos D. ORCID logoORCID: https://orcid.org/0000-0002-8388-1549 and Catlow, C. Richard A. (2019) An experimental and computational IR and hybrid DFT-D3 study of the conformations of L-lactic and acrylic acid: new insight to the dehydration mechanism of lactic acid to acrylic acid. Physical Chemistry Chemical Physics, 21 (40). pp. 22331-22343. ISSN 1463-9076 (Print), 1463-9084 (Online) (doi:10.1039/C9CP02968K)

lactic acid dehydration mechanism

Zeinalipour-Yazdi, Constantinos D. ORCID logoORCID: https://orcid.org/0000-0002-8388-1549 and Catlow, C. Richard A. (2019) An experimental and computational IR and hybrid DFT-D3 study of the conformations of L-lactic and acrylic acid: new insight to the dehydration mechanism of lactic acid to acrylic acid. Physical Chemistry Chemical Physics, 21 (40). pp. 22331-22343. ISSN 1463-9076 (Print), 1463-9084 (Online) (doi:10.1039/C9CP02968K)

Low-T Mechanisms of Ammonia Synthesis on Co3Mo3N

Zeinalipour-Yazdi, Constantinos D. ORCID logoORCID: https://orcid.org/0000-0002-8388-1549 and Catlow, C. Richard A. (2017) A computational study of the heterogeneous synthesis of hydrazine on Co3Mo3N. Catalysis Letters, 147 (7). pp. 1820-1826. ISSN 1011-372X (doi:10.1007/s10562-017-2080-y)

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)

Materials science

Dann, Ellie K., Gibson, Emma K., Blackmore, Rachel H., Catlow, C. Richard A., Collier, Paul, Chutia, Arunabhiram, Eralp Erden, Tugce, Hadacare, Christopher, Kroner, Anna, Nachtegaal, Martin, Raj, Agnes, Rogers, Scott M., Taylor, S. F. Rebecca, Thompson, Paul, Tierney, George F., Zeinalipour-Yazdi, Constantinos D. ORCID logoORCID: https://orcid.org/0000-0002-8388-1549, Goguet, Alexandre and Wells, Peter P. (2019) Structural selectivity of supported Pd nanoparticles for catalytic NH3 oxidation resolved using combined operando spectroscopy. Nature Catalysis, 2. pp. 157-163. ISSN 2520-1158 (Online) (doi:10.1038/s41929-018-0213-3)

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)

Nanoparticles

Dann, Ellie K., Gibson, Emma K., Blackmore, Rachel H., Catlow, C. Richard A., Collier, Paul, Chutia, Arunabhiram, Eralp Erden, Tugce, Hadacare, Christopher, Kroner, Anna, Nachtegaal, Martin, Raj, Agnes, Rogers, Scott M., Taylor, S. F. Rebecca, Thompson, Paul, Tierney, George F., Zeinalipour-Yazdi, Constantinos D. ORCID logoORCID: https://orcid.org/0000-0002-8388-1549, Goguet, Alexandre and Wells, Peter P. (2019) Structural selectivity of supported Pd nanoparticles for catalytic NH3 oxidation resolved using combined operando spectroscopy. Nature Catalysis, 2. pp. 157-163. ISSN 2520-1158 (Online) (doi:10.1038/s41929-018-0213-3)

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)

Sphere-in-contact model

Zeinalipour-Yazdi, Constantinos D. ORCID logoORCID: https://orcid.org/0000-0002-8388-1549, Pullman, David P. and Catlow, C. Richard A. (2016) The sphere-in-contact model of carbon materials. Journal of Molecular Modeling, 22:40. ISSN 1610-2940 (Print), 0948-5023 (Online) (doi:10.1007/s00894-015-2895-7)

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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