ammonia synthesis

Zeinalipour-Yazdi, Constantinos D. ORCID: 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)

Zeinalipour-Yazdi, Constantinos D. ORCID: 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: 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)

CO adsorption

Zeinalipour-Yazdi, Constantinos D. ORCID: https://orcid.org/0000-0002-8388-1549, Cooksy, Andrew L. and Efstathiou, Angelos M. (2007) A diffuse reflectance infrared Fourier-transform spectra and density functional theory study of CO adsorption on Rh/gamma-Al2O3. The Journal of Physical Chemistry C, 111 (37). pp. 13872-13878. ISSN 1932-7447 (Print), 1932-7455 (Online) (doi:10.1021/jp074549x)

Zeinalipour-Yazdi, Constantinos D. ORCID: https://orcid.org/0000-0002-8388-1549 and van Santen, Rutger A. (2012) Coverage-dependent adsorption energy of carbon monoxide on a rhodium nanocluster. The Journal of Physical Chemistry C, 116 (15). pp. 8721-8730. ISSN 1932-7447 (Print), 1932-7455 (Online) (doi:10.1021/jp2090044)

Co3Mo3N

Zeinalipour-Yazdi, Constantinos D. ORCID: 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)

Zeinalipour-Yazdi, Constantinos D. ORCID: 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)

cobalt molybdenum nitride

Zeinalipour-Yazdi, Constantinos D. ORCID: 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)

coverage-dependent

Zeinalipour-Yazdi, Constantinos D. ORCID: https://orcid.org/0000-0002-8388-1549 and van Santen, Rutger A. (2012) Coverage-dependent adsorption energy of carbon monoxide on a rhodium nanocluster. The Journal of Physical Chemistry C, 116 (15). pp. 8721-8730. ISSN 1932-7447 (Print), 1932-7455 (Online) (doi:10.1021/jp2090044)

DFT

Zeinalipour-Yazdi, Constantinos D. ORCID: https://orcid.org/0000-0002-8388-1549, Cooksy, Andrew L. and Efstathiou, Angelos M. (2007) A diffuse reflectance infrared Fourier-transform spectra and density functional theory study of CO adsorption on Rh/gamma-Al2O3. The Journal of Physical Chemistry C, 111 (37). pp. 13872-13878. ISSN 1932-7447 (Print), 1932-7455 (Online) (doi:10.1021/jp074549x)

Zeinalipour-Yazdi, Constantinos D. ORCID: https://orcid.org/0000-0002-8388-1549 and Efstathiou, Angelos M. (2008) Preadsorbed water-promoted mechanism of the water-gas shift reaction. The Journal of Physical Chemistry C, 112 (48). pp. 19030-19039. ISSN 1932-7447 (Print), 1932-7455 (Online) (doi:10.1021/jp806366)

Zeinalipour-Yazdi, Constantinos D. ORCID: https://orcid.org/0000-0002-8388-1549 and van Santen, Rutger A. (2012) Coverage-dependent adsorption energy of carbon monoxide on a rhodium nanocluster. The Journal of Physical Chemistry C, 116 (15). pp. 8721-8730. ISSN 1932-7447 (Print), 1932-7455 (Online) (doi:10.1021/jp2090044)

IR

Zeinalipour-Yazdi, Constantinos D. ORCID: https://orcid.org/0000-0002-8388-1549, Cooksy, Andrew L. and Efstathiou, Angelos M. (2007) A diffuse reflectance infrared Fourier-transform spectra and density functional theory study of CO adsorption on Rh/gamma-Al2O3. The Journal of Physical Chemistry C, 111 (37). pp. 13872-13878. ISSN 1932-7447 (Print), 1932-7455 (Online) (doi:10.1021/jp074549x)

Mars-van Krevelen

Zeinalipour-Yazdi, Constantinos D. ORCID: 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)

mechanism

Zeinalipour-Yazdi, Constantinos D. ORCID: https://orcid.org/0000-0002-8388-1549 and Efstathiou, Angelos M. (2008) Preadsorbed water-promoted mechanism of the water-gas shift reaction. The Journal of Physical Chemistry C, 112 (48). pp. 19030-19039. ISSN 1932-7447 (Print), 1932-7455 (Online) (doi:10.1021/jp806366)

nitrogen activation

Zeinalipour-Yazdi, Constantinos D. ORCID: 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)

Zeinalipour-Yazdi, Constantinos D. ORCID: 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)

Rh/alumina

Zeinalipour-Yazdi, Constantinos D. ORCID: https://orcid.org/0000-0002-8388-1549, Cooksy, Andrew L. and Efstathiou, Angelos M. (2007) A diffuse reflectance infrared Fourier-transform spectra and density functional theory study of CO adsorption on Rh/gamma-Al2O3. The Journal of Physical Chemistry C, 111 (37). pp. 13872-13878. ISSN 1932-7447 (Print), 1932-7455 (Online) (doi:10.1021/jp074549x)

rhodium cluster

Zeinalipour-Yazdi, Constantinos D. ORCID: https://orcid.org/0000-0002-8388-1549 and Efstathiou, Angelos M. (2008) Preadsorbed water-promoted mechanism of the water-gas shift reaction. The Journal of Physical Chemistry C, 112 (48). pp. 19030-19039. ISSN 1932-7447 (Print), 1932-7455 (Online) (doi:10.1021/jp806366)

rhodium nanocluster

Zeinalipour-Yazdi, Constantinos D. ORCID: https://orcid.org/0000-0002-8388-1549 and van Santen, Rutger A. (2012) Coverage-dependent adsorption energy of carbon monoxide on a rhodium nanocluster. The Journal of Physical Chemistry C, 116 (15). pp. 8721-8730. ISSN 1932-7447 (Print), 1932-7455 (Online) (doi:10.1021/jp2090044)

simuations

Zeinalipour-Yazdi, Constantinos D. ORCID: https://orcid.org/0000-0002-8388-1549, Cooksy, Andrew L. and Efstathiou, Angelos M. (2007) A diffuse reflectance infrared Fourier-transform spectra and density functional theory study of CO adsorption on Rh/gamma-Al2O3. The Journal of Physical Chemistry C, 111 (37). pp. 13872-13878. ISSN 1932-7447 (Print), 1932-7455 (Online) (doi:10.1021/jp074549x)

WGS

Zeinalipour-Yazdi, Constantinos D. ORCID: https://orcid.org/0000-0002-8388-1549 and Efstathiou, Angelos M. (2008) Preadsorbed water-promoted mechanism of the water-gas shift reaction. The Journal of Physical Chemistry C, 112 (48). pp. 19030-19039. ISSN 1932-7447 (Print), 1932-7455 (Online) (doi:10.1021/jp806366)