Altering CO binding on gold cluster cations by Pd-doping

Research output: Contribution to journalArticlepeer-review

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Altering CO binding on gold cluster cations by Pd-doping. / Abdulhussein, Heider A; Ferrari, Piero; Vanbuel, Jan; Heard, Christopher; Fielicke, André; Lievens, Peter; Janssens, Ewald; Johnston, Roy L.

In: Nanoscale, Vol. 11, No. 34, 29.08.2019, p. 16130-16141.

Research output: Contribution to journalArticlepeer-review

Harvard

Abdulhussein, HA, Ferrari, P, Vanbuel, J, Heard, C, Fielicke, A, Lievens, P, Janssens, E & Johnston, RL 2019, 'Altering CO binding on gold cluster cations by Pd-doping', Nanoscale, vol. 11, no. 34, pp. 16130-16141. https://doi.org/10.1039/c9nr04237g

APA

Abdulhussein, H. A., Ferrari, P., Vanbuel, J., Heard, C., Fielicke, A., Lievens, P., Janssens, E., & Johnston, R. L. (2019). Altering CO binding on gold cluster cations by Pd-doping. Nanoscale, 11(34), 16130-16141. https://doi.org/10.1039/c9nr04237g

Vancouver

Abdulhussein HA, Ferrari P, Vanbuel J, Heard C, Fielicke A, Lievens P et al. Altering CO binding on gold cluster cations by Pd-doping. Nanoscale. 2019 Aug 29;11(34):16130-16141. https://doi.org/10.1039/c9nr04237g

Author

Abdulhussein, Heider A ; Ferrari, Piero ; Vanbuel, Jan ; Heard, Christopher ; Fielicke, André ; Lievens, Peter ; Janssens, Ewald ; Johnston, Roy L. / Altering CO binding on gold cluster cations by Pd-doping. In: Nanoscale. 2019 ; Vol. 11, No. 34. pp. 16130-16141.

Bibtex

@article{0a052a34b6d3431c8ee0e2a7e5a9b443,
title = "Altering CO binding on gold cluster cations by Pd-doping",
abstract = "The introduction of dopant atoms into metal nanoparticles is an effective way to control the interaction with adsorbate molecules and is important in many catalytic processes. In this work, experimental and theoretical evidence of the influence of Pd doping on the bonding between small cationic AuN+ clusters and CO is presented. The CO adsorption is studied by combining low-pressure collision cell reactivity and infrared multiple photon dissociation spectroscopy experiments with density functional theory calculations. Measured dissociation rates of cluster-CO complexes (N ≤ 21) allow the estimation of cluster-CO binding energies, showing that Pd doping increases the CO adsorption energy to an extent that is size-dependent. These trends are reproduced by theoretical calculations up to N = 13. In agreement with theory, measurements of the C-O vibrational frequency suggest that for the doped PdAuN-1+ (N = 3-5, 11) clusters, CO adsorbs on an Au atom, while for N = 6-10 and N = 12-14, CO interacts directly with the Pd dopant. A pronounced red-shifting of the C-O vibrational frequency is observed when CO interacts directly with the Pd dopant, indicating a significant back-donation of electron charge from Pd to CO. In contrast, the blue-shifted frequencies, observed when CO interacts with an Au atom, indicate that σ-donation dominates the Au-CO interaction. Studying such systems at the sub-nanometre scale enables a fundamental comprehension of the interactions between adsorbates, dopants and the host (Au) species at the atomic level.",
author = "Abdulhussein, {Heider A} and Piero Ferrari and Jan Vanbuel and Christopher Heard and Andr{\'e} Fielicke and Peter Lievens and Ewald Janssens and Johnston, {Roy L}",
year = "2019",
month = aug,
day = "29",
doi = "10.1039/c9nr04237g",
language = "English",
volume = "11",
pages = "16130--16141",
journal = "Nanoscale",
issn = "2040-3364",
publisher = "Royal Society of Chemistry",
number = "34",

}

RIS

TY - JOUR

T1 - Altering CO binding on gold cluster cations by Pd-doping

AU - Abdulhussein, Heider A

AU - Ferrari, Piero

AU - Vanbuel, Jan

AU - Heard, Christopher

AU - Fielicke, André

AU - Lievens, Peter

AU - Janssens, Ewald

AU - Johnston, Roy L

PY - 2019/8/29

Y1 - 2019/8/29

N2 - The introduction of dopant atoms into metal nanoparticles is an effective way to control the interaction with adsorbate molecules and is important in many catalytic processes. In this work, experimental and theoretical evidence of the influence of Pd doping on the bonding between small cationic AuN+ clusters and CO is presented. The CO adsorption is studied by combining low-pressure collision cell reactivity and infrared multiple photon dissociation spectroscopy experiments with density functional theory calculations. Measured dissociation rates of cluster-CO complexes (N ≤ 21) allow the estimation of cluster-CO binding energies, showing that Pd doping increases the CO adsorption energy to an extent that is size-dependent. These trends are reproduced by theoretical calculations up to N = 13. In agreement with theory, measurements of the C-O vibrational frequency suggest that for the doped PdAuN-1+ (N = 3-5, 11) clusters, CO adsorbs on an Au atom, while for N = 6-10 and N = 12-14, CO interacts directly with the Pd dopant. A pronounced red-shifting of the C-O vibrational frequency is observed when CO interacts directly with the Pd dopant, indicating a significant back-donation of electron charge from Pd to CO. In contrast, the blue-shifted frequencies, observed when CO interacts with an Au atom, indicate that σ-donation dominates the Au-CO interaction. Studying such systems at the sub-nanometre scale enables a fundamental comprehension of the interactions between adsorbates, dopants and the host (Au) species at the atomic level.

AB - The introduction of dopant atoms into metal nanoparticles is an effective way to control the interaction with adsorbate molecules and is important in many catalytic processes. In this work, experimental and theoretical evidence of the influence of Pd doping on the bonding between small cationic AuN+ clusters and CO is presented. The CO adsorption is studied by combining low-pressure collision cell reactivity and infrared multiple photon dissociation spectroscopy experiments with density functional theory calculations. Measured dissociation rates of cluster-CO complexes (N ≤ 21) allow the estimation of cluster-CO binding energies, showing that Pd doping increases the CO adsorption energy to an extent that is size-dependent. These trends are reproduced by theoretical calculations up to N = 13. In agreement with theory, measurements of the C-O vibrational frequency suggest that for the doped PdAuN-1+ (N = 3-5, 11) clusters, CO adsorbs on an Au atom, while for N = 6-10 and N = 12-14, CO interacts directly with the Pd dopant. A pronounced red-shifting of the C-O vibrational frequency is observed when CO interacts directly with the Pd dopant, indicating a significant back-donation of electron charge from Pd to CO. In contrast, the blue-shifted frequencies, observed when CO interacts with an Au atom, indicate that σ-donation dominates the Au-CO interaction. Studying such systems at the sub-nanometre scale enables a fundamental comprehension of the interactions between adsorbates, dopants and the host (Au) species at the atomic level.

UR - http://www.scopus.com/inward/record.url?scp=85071708946&partnerID=8YFLogxK

U2 - 10.1039/c9nr04237g

DO - 10.1039/c9nr04237g

M3 - Article

C2 - 31432842

VL - 11

SP - 16130

EP - 16141

JO - Nanoscale

JF - Nanoscale

SN - 2040-3364

IS - 34

ER -