adsorption

Rafii-Tabar, H., Kamiyama, H. and Cross, Mark (1997) Molecular dynamics simulation of adsorption of Ag particles on a graphite substrate. Surface Science, 385 (1). pp. 187-199. ISSN 0039-6028 (doi:https://doi.org/10.1016/S0039-6028(97)00262-8)

adsorption energy

Zeinalipour-Yazdi, Constantinos D. ORCID: 0000-0002-8388-1549 (2016) DFT study of the coverage-dependent chemisorption of molecular H2 on neutral cobalt dimers. Surface Science, 656. pp. 54-59. ISSN 0039-6028 (doi:https://doi.org/10.1016/j.susc.2016.10.003)

beta-sites

Rafii-Tabar, H., Kamiyama, H. and Cross, Mark (1997) Molecular dynamics simulation of adsorption of Ag particles on a graphite substrate. Surface Science, 385 (1). pp. 187-199. ISSN 0039-6028 (doi:https://doi.org/10.1016/S0039-6028(97)00262-8)

CO adsorption

Zeinalipour-Yazdi, Constantinos D. ORCID: 0000-0002-8388-1549 , Cooksy, Andrew L. and Efstathiou, Angelos M. (2008) CO adsorption on transition metal clusters: trends from density functional theory. Surface Science, 602 (10). pp. 1858-1862. ISSN 0039-6028 (doi:https://doi.org/10.1016/j.susc.2008.03.024)

Zeinalipour-Yazdi, Constantinos D. ORCID: 0000-0002-8388-1549 , Willock, David J., Thomas, Liam, Wilson, Karen and Lee, Adam F. (2015) CO adsorption over Pd nanoparticles: A general framework for IR simulations on nanoparticles. Surface Science, 646. pp. 210-220. ISSN 0039-6028 (doi:https://doi.org/10.1016/j.susc.2015.07.014)

cobalt dimers

Zeinalipour-Yazdi, Constantinos D. ORCID: 0000-0002-8388-1549 (2016) DFT study of the coverage-dependent chemisorption of molecular H2 on neutral cobalt dimers. Surface Science, 656. pp. 54-59. ISSN 0039-6028 (doi:https://doi.org/10.1016/j.susc.2016.10.003)

coverage-dependent

Zeinalipour-Yazdi, Constantinos D. ORCID: 0000-0002-8388-1549 (2016) DFT study of the coverage-dependent chemisorption of molecular H2 on neutral cobalt dimers. Surface Science, 656. pp. 54-59. ISSN 0039-6028 (doi:https://doi.org/10.1016/j.susc.2016.10.003)

DFT

Zeinalipour-Yazdi, Constantinos D. ORCID: 0000-0002-8388-1549 (2016) DFT study of the coverage-dependent chemisorption of molecular H2 on neutral cobalt dimers. Surface Science, 656. pp. 54-59. ISSN 0039-6028 (doi:https://doi.org/10.1016/j.susc.2016.10.003)

Zeinalipour-Yazdi, Constantinos D. ORCID: 0000-0002-8388-1549 , Cooksy, Andrew L. and Efstathiou, Angelos M. (2008) CO adsorption on transition metal clusters: trends from density functional theory. Surface Science, 602 (10). pp. 1858-1862. ISSN 0039-6028 (doi:https://doi.org/10.1016/j.susc.2008.03.024)

graphite substrate

Rafii-Tabar, H., Kamiyama, H. and Cross, Mark (1997) Molecular dynamics simulation of adsorption of Ag particles on a graphite substrate. Surface Science, 385 (1). pp. 187-199. ISSN 0039-6028 (doi:https://doi.org/10.1016/S0039-6028(97)00262-8)

H2

Zeinalipour-Yazdi, Constantinos D. ORCID: 0000-0002-8388-1549 (2016) DFT study of the coverage-dependent chemisorption of molecular H2 on neutral cobalt dimers. Surface Science, 656. pp. 54-59. ISSN 0039-6028 (doi:https://doi.org/10.1016/j.susc.2016.10.003)

IR simulations

Zeinalipour-Yazdi, Constantinos D. ORCID: 0000-0002-8388-1549 , Willock, David J., Thomas, Liam, Wilson, Karen and Lee, Adam F. (2015) CO adsorption over Pd nanoparticles: A general framework for IR simulations on nanoparticles. Surface Science, 646. pp. 210-220. ISSN 0039-6028 (doi:https://doi.org/10.1016/j.susc.2015.07.014)

many-body potentials

Rafii-Tabar, H., Kamiyama, H. and Cross, Mark (1997) Molecular dynamics simulation of adsorption of Ag particles on a graphite substrate. Surface Science, 385 (1). pp. 187-199. ISSN 0039-6028 (doi:https://doi.org/10.1016/S0039-6028(97)00262-8)

molecular dynamics simulation

Rafii-Tabar, H., Kamiyama, H. and Cross, Mark (1997) Molecular dynamics simulation of adsorption of Ag particles on a graphite substrate. Surface Science, 385 (1). pp. 187-199. ISSN 0039-6028 (doi:https://doi.org/10.1016/S0039-6028(97)00262-8)

Morse Ag–C potential

Rafii-Tabar, H., Kamiyama, H. and Cross, Mark (1997) Molecular dynamics simulation of adsorption of Ag particles on a graphite substrate. Surface Science, 385 (1). pp. 187-199. ISSN 0039-6028 (doi:https://doi.org/10.1016/S0039-6028(97)00262-8)

nano-phase

Rafii-Tabar, H., Kamiyama, H. and Cross, Mark (1997) Molecular dynamics simulation of adsorption of Ag particles on a graphite substrate. Surface Science, 385 (1). pp. 187-199. ISSN 0039-6028 (doi:https://doi.org/10.1016/S0039-6028(97)00262-8)

palladium nanoparticle

Zeinalipour-Yazdi, Constantinos D. ORCID: 0000-0002-8388-1549 , Willock, David J., Thomas, Liam, Wilson, Karen and Lee, Adam F. (2015) CO adsorption over Pd nanoparticles: A general framework for IR simulations on nanoparticles. Surface Science, 646. pp. 210-220. ISSN 0039-6028 (doi:https://doi.org/10.1016/j.susc.2015.07.014)

scanning tunneling microscopy experiment

Rafii-Tabar, H., Kamiyama, H. and Cross, Mark (1997) Molecular dynamics simulation of adsorption of Ag particles on a graphite substrate. Surface Science, 385 (1). pp. 187-199. ISSN 0039-6028 (doi:https://doi.org/10.1016/S0039-6028(97)00262-8)

silver monomer and dimer

Rafii-Tabar, H., Kamiyama, H. and Cross, Mark (1997) Molecular dynamics simulation of adsorption of Ag particles on a graphite substrate. Surface Science, 385 (1). pp. 187-199. ISSN 0039-6028 (doi:https://doi.org/10.1016/S0039-6028(97)00262-8)

transition metal clusters

Zeinalipour-Yazdi, Constantinos D. ORCID: 0000-0002-8388-1549 , Cooksy, Andrew L. and Efstathiou, Angelos M. (2008) CO adsorption on transition metal clusters: trends from density functional theory. Surface Science, 602 (10). pp. 1858-1862. ISSN 0039-6028 (doi:https://doi.org/10.1016/j.susc.2008.03.024)