| Theoretical studies of palladium− gold nanoclusters: Pd− Au clusters with up to 50 atoms F Pittaway, LO Paz-Borbón, RL Johnston, H Arslan, R Ferrando, C Mottet, ... The Journal of Physical Chemistry C 113 (21), 9141-9152, 2009 | 186 | 2009 |
| Structural motifs, mixing, and segregation effects in 38-atom binary clusters LO Paz-Borbón, RL Johnston, G Barcaro, A Fortunelli The Journal of chemical physics 128 (13), 2008 | 182 | 2008 |
| A mixed structural motif in 34-atom Pd− Pt clusters LO Paz-Borbón, RL Johnston, G Barcaro, A Fortunelli The Journal of Physical Chemistry C 111 (7), 2936-2941, 2007 | 104 | 2007 |
| Structures and energetics of 98 atom Pd–Pt nanoalloys: potential stability of the Leary tetrahedron for bimetallic nanoparticles LO Paz-Borbon, TV Mortimer-Jones, RL Johnston, A Posada-Amarillas, ... Physical Chemistry Chemical Physics 9 (38), 5202-5208, 2007 | 96 | 2007 |
| DFT study of the structures and energetics of 98-atom AuPd clusters A Bruma, R Ismail, LO Paz-Borbón, H Arslan, G Barcaro, A Fortunelli, ... Nanoscale 5 (2), 646-652, 2013 | 73 | 2013 |
| Dependence of the structures and chemical ordering of Pd–Pt nanoalloys on potential parameters LO Paz-Borbón, A Gupta, RL Johnston Journal of Materials Chemistry 18 (35), 4154-4164, 2008 | 60 | 2008 |
| Computational Studies of Transition Metal Nanoalloys LOP Borbón https://doi.org/10.1007/978-3-642-18012-5, 2011 | 52 | 2011 |
| Structures and stabilities of platinum–gold nanoclusters A Logsdail, LO Paz-Borbón, RL Johnston Journal of Computational and Theoretical Nanoscience 6 (4), 857-866, 2009 | 48 | 2009 |
| Chemisorption of CO and H on Pd, Pt and Au nanoclusters: a DFT approach LO Paz-Borbon, RL Johnston, G Barcaro, A Fortunelli The European Physical Journal D 52, 131-134, 2009 | 48 | 2009 |
| BIGDML—Towards accurate quantum machine learning force fields for materials HE Sauceda, LE Gálvez-González, S Chmiela, LO Paz-Borbón, KR Müller, ... Nature communications 13 (1), 3733, 2022 | 45 | 2022 |
| “Get in touch and keep in contact”: interface effect on the oxygen reduction reaction (ORR) activity for supported PtNi nanoparticles GG Asara, LO Paz-Borbón, F Baletto ACS Catalysis 6 (7), 4388-4393, 2016 | 43 | 2016 |
| CO2 adsorption on gas-phase Cu4-xPtx (x= 0-4) clusters: a DFT study LE Gálvez-González, A Posada-Amarillas, JO Juárez-Sánchez, ... Physical Chemistry Chemical Physics 20, 17071-17080, 2018 | 38 | 2018 |
| Au clusters ( supported on MgO(100) surfaces: Effect of exact exchange and dispersion interactions on adhesion energies LO Paz-Borbón, G Barcaro, A Fortunelli, SV Levchenko Physical Review B—Condensed Matter and Materials Physics 85 (15), 155409, 2012 | 38 | 2012 |
| 2D–3D structural transition in sub-nanometer Pt N clusters supported on CeO 2 (111) LO Paz-Borbón, A López-Martínez, IL Garzon, A Posada-Amarillas, ... Physical Chemistry Chemical Physics 19, 17845-17855, 2017 | 29 | 2017 |
| CeO 2 (111) electronic reducibility tuned by ultra-small supported bimetallic Pt-Cu clusters LO Paz-Borbón, F Buendía, IL Garzon, A Posada-Amarillas, F Illas, J Li Physical Chemistry Chemical Physics, 2019 | 24 | 2019 |
| Melting of large Pt@ MgO (1 0 0) icosahedra K Rossi, T Ellaby, LO Paz-Borbón, I Atanasov, L Pavan, F Baletto Journal of Physics: Condensed Matter 29 (14), 145402, 2017 | 20 | 2017 |
| Oxidation at the subnanometer scale A Trinchero, S Klacar, LO Paz-Borbón, A Hellman, H Gronbeck The Journal of Physical Chemistry C 119 (20), 10797-10803, 2015 | 19 | 2015 |
| Revisiting the conformational adsorption of L‐and D‐cysteine on Au nanoparticles by Raman spectroscopy P Rodríguez‐Zamora, B Salazar‐Angeles, F Buendía, C Cordero‐Silis, ... Journal of Raman Spectroscopy, 2019 | 18 | 2019 |
| DFT-computed trends in the properties of bimetallic precious metal nanoparticles with core@ shell segregation AJ Logsdail, LO Paz-Bórbon, CA Downing The Journal of Physical Chemistry C 122 (10), 5721-5730, 2018 | 18 | 2018 |
| A DFT Study on the O2 Adsorption Properties of Supported PtNi Clusters LO Paz-Borbón, F Baletto Inorganics 5 (3), 43, 2017 | 17 | 2017 |
Roy JohnstonProfessor of Computational Chemistry, University of Birmingham, UK在 bham.ac.uk 的电子邮件经过验证
