Research output per year
Research output per year
- 18 results
Search results
-
2018
Application of a parallel genetic algorithm to the global optimization of medium-sized Au–Pd sub-nanometre clusters
A.Hussein, H., Demiroglu, I. & Johnston, R. L., 12 Feb 2018, In: European Physics Journal B. 91, 2, 12 p., 34.Research output: Contribution to journal › Article › peer-review
Open AccessFile9 Citations (Scopus)137 Downloads (Pure) -
Effect of palladium doping on the stability and fragmentation patterns of cationic gold clusters
Ferrari, P., Hussein, H. A., Heard, C. J., Vanbuel, J., Johnston, R., Lievens, P. & Janssens, E., 21 May 2018, In: Physical Review A. 97, 5, 052508.Research output: Contribution to journal › Article › peer-review
Open AccessFile14 Citations (Scopus)151 Downloads (Pure) -
Modelling Free and Oxide-supported Nanoalloy Catalysts: Comparison of Bulk-immiscible Pd-Ir and Au-Rh Systems and Influence of a TiO2 Support
Demiroglu, I., Fan, T., Li, Z., Yuan, J., Liu, T., Piccolo, L. & Johnston, R. L., Aug 2018, In: Faraday Discussions. 208, p. 53-66Research output: Contribution to journal › Article › peer-review
Open AccessFile9 Citations (Scopus)161 Downloads (Pure) -
2017
A DFT study of molecular adsorption on titania-supported AuRh nanoalloys
Demiroglu, I., Li, Z., Piccolo, L. & Johnston, R. L., May 2017, In: Computational and Theoretical Chemistry. 1107, p. 142–151 10 p.Research output: Contribution to journal › Article › peer-review
Open AccessFile12 Citations (Scopus)193 Downloads (Pure) -
DFT Global Optimization of Gas-Phase Subnanometer Ru–Pt Clusters
Demiroglu, I., Yao, K., Hussein, H. A. & Johnston, R. L., 25 May 2017, In: Journal of Physical Chemistry C. 121, 20, p. 10773-10780Research output: Contribution to journal › Article › peer-review
Open AccessFile27 Citations (Scopus)300 Downloads (Pure) -
DFT study of the structure, chemical ordering and molecular adsorption of Pd-Ir nanoalloys
Fan, T-E., Demiroglu, I., Hussein, H. A., Liu, T-D. & Johnston, R. L., 21 Oct 2017, In: Physical Chemistry Chemical Physics. 2017, 39, p. 27090-27098Research output: Contribution to journal › Article › peer-review
Open AccessFile9 Citations (Scopus)143 Downloads (Pure) -
Study of the stability of small AuRh clusters found by a Genetic Algorithm methodology
Buendía, F., Vargas, J. A., Johnston, R. L. & Beltrán, M. R., 1 Nov 2017, In: Computational and Theoretical Chemistry. 1119, p. 51-58Research output: Contribution to journal › Article › peer-review
Open AccessFile12 Citations (Scopus)222 Downloads (Pure) -
2016
A comparative study of AumRhn (4 ≤ m + n ≤ 6) clusters in the gas phase versus those deposited on (100) MgO
Buendía, F., Vargas, J. A., Beltrán, M. R., Davis, J. B. A. & Johnston, R. L., 28 Aug 2016, In: Physical Chemistry Chemical Physics. 18, 32, p. 22122-22128 7 p.Research output: Contribution to journal › Article › peer-review
Open Access9 Citations (Scopus) -
A DFT study of molecular adsorption on Au–Rh nanoalloys
Demiroglu, I., Li, Z., Piccolo, L. & Johnston, R. L., 21 Sept 2016, In: Catalysis Science and Technology. 6, 18, p. 6916-6931Research output: Contribution to journal › Article › peer-review
Open AccessFile19 Citations (Scopus)161 Downloads (Pure) -
Application of a Parallel Genetic Algorithm to the Global Optimization of Gas-Phase and Supported Gold-Iridium Sub-Nanoalloys
Davis, J. B. A., Horswell, S. L. & Johnston, R. L., 25 Feb 2016, In: Journal of Physical Chemistry C. 120, 7, p. 3759-3765 7 p.Research output: Contribution to journal › Article › peer-review
Open AccessFile24 Citations (Scopus)273 Downloads (Pure) -
DFT global optimisation of gas-phase and MgO-supported sub-nanometre AuPd clusters
Hussein, H. A., Davis, J. B. A. & Johnston, R. L., 7 Oct 2016, In: Physical Chemistry Chemical Physics. 18, 37, p. 26133-26143 11 p.Research output: Contribution to journal › Article › peer-review
Open AccessFile27 Citations (Scopus)157 Downloads (Pure) -
Understanding and controlling the structure and segregation behaviour of AuRh nanocatalysts
Piccolo, L., Li, Z., Demiroglu, I., Moyon, F., Konuspayeva, Z., Berhault, G., Afanasiev, P., Lefebvre, W., Yuan, J. & Johnston, R. L., 2016, In: Scientific Reports. 6, 35226.Research output: Contribution to journal › Article › peer-review
Open AccessFile27 Citations (Scopus)159 Downloads (Pure) -
2015
Computational study of the adsorption of benzene and hydrogen on palladium–iridium nanoalloys
Davis, J. B. A., Horswell, S. L., Piccolo, L. & Johnston, R. L., Sept 2015, In: Journal of Organometallic Chemistry. 792, p. 190-3Research output: Contribution to journal › Article › peer-review
Open AccessFile7 Citations (Scopus)319 Downloads (Pure) -
The Birmingham parallel genetic algorithm and its application to the direct DFT global optimisation of IrN (N = 10-20) clusters
Davis, J. B. A., Shayeghi, A., Horswell, S. L. & Johnston, R. L., 7 Sept 2015, In: Nanoscale. 7, 33, p. 14032-14038Research output: Contribution to journal › Article › peer-review
Open AccessFile50 Citations (Scopus)253 Downloads (Pure) -
The Effect of Dispersion Correction on the Adsorption of CO on Metallic Nanoparticles
Davis, J. B. A., Baletto, F. & Johnston, R. L., 17 Sept 2015, In: The Journal of Physical Chemistry A. 119, 37, p. 9703-9709Research output: Contribution to journal › Article › peer-review
Open AccessFile39 Citations (Scopus)169 Downloads (Pure) -
2014
Comparative modelling of chemical ordering in palladium-iridium nanoalloys
Davis, J. B. A., Johnston, R. L., Rubinovich, L. & Polak, M., 14 Dec 2014, In: Journal of Chemical Physics. 141, 22, 224307.Research output: Contribution to journal › Article › peer-review
Open AccessFile16 Citations (Scopus)279 Downloads (Pure) -
Global optimization of 8-10 atom palladium-iridium nanoalloys at the DFT level
Davis, J., Horswell, S. L. & Johnston, R. L., 9 Jan 2014, In: The Journal of Physical Chemistry A. 118, 1, p. 208-214 7 p.Research output: Contribution to journal › Article › peer-review
Open AccessFile25 Citations (Scopus)235 Downloads (Pure) -
2013
Direct atomic imaging and density functional theory study of the Au24Pd1 cluster catalyst
Bruma, A., Negreiros, F. R., Xie, S., Tsukuda, T., Johnston, R. L., Fortunelli, A. & Li, Z. Y., 1 Jan 2013, In: Nanoscale. 5, 20, p. 9620Research output: Contribution to journal › Article › peer-review
30 Citations (Scopus)