| Year |
Citation |
Score |
| 2023 |
Fuchs T, Briega-Martos V, Drnec J, Stubb N, Martens I, Calle-Vallejo F, Harrington DA, Cherevko S, Magnussen OM. Anodic and cathodic platinum dissolution processes involve different oxide species. Angewandte Chemie (International Ed. in English). e202304293. PMID 37341165 DOI: 10.1002/anie.202304293 |
0.35 |
|
| 2023 |
Calle-Vallejo F. The ABC of Generalized Coordination Numbers and Their Use as a Descriptor in Electrocatalysis. Advanced Science (Weinheim, Baden-Wurttemberg, Germany). 10: e2207644. PMID 37102632 DOI: 10.1002/advs.202207644 |
0.325 |
|
| 2023 |
Romeo E, Lezana-Muralles MF, Illas F, Calle-Vallejo F. Extracting Features of Active Transition Metal Electrodes for NO Electroreduction with Catalytic Matrices. Acs Applied Materials & Interfaces. 15: 22176-22183. PMID 37098248 DOI: 10.1021/acsami.3c03385 |
0.32 |
|
| 2023 |
Romeo E, Illas F, Calle-Vallejo F. A general but still unknown characteristic of active oxygen evolution electrocatalysts. Chemical Science. 14: 3622-3629. PMID 37006685 DOI: 10.1039/d2sc06832j |
0.301 |
|
| 2023 |
Arulmozhi N, Hanselman S, Tudor V, Chen X, van Velden D, Schneider GF, Calle-Vallejo F, Koper MTM. Energetics and Kinetics of Hydrogen Electrosorption on a Graphene-Covered Pt(111) Electrode. Jacs Au. 3: 526-535. PMID 36873699 DOI: 10.1021/jacsau.2c00648 |
0.491 |
|
| 2023 |
Hanselman S, Koper MTM, Calle-Vallejo F. Using micro-solvation and generalized coordination numbers to estimate the solvation energies of adsorbed hydroxyl on metal nanoparticles. Physical Chemistry Chemical Physics : Pccp. 25: 3211-3219. PMID 36625180 DOI: 10.1039/d2cp04785c |
0.493 |
|
| 2023 |
Hanselman S, Calle-Vallejo F, Koper MTM. Computational description of surface hydride phases on Pt(111) electrodes. The Journal of Chemical Physics. 158: 014703. PMID 36610959 DOI: 10.1063/5.0125436 |
0.556 |
|
| 2022 |
Kluge RM, Psaltis E, Haid RW, Hou S, Schmidt TO, Schneider O, Garlyyev B, Calle-Vallejo F, Bandarenka AS. Revealing the Nature of Active Sites on Pt-Gd and Pt-Pr Alloys during the Oxygen Reduction Reaction. Acs Applied Materials & Interfaces. PMID 35442013 DOI: 10.1021/acsami.2c03604 |
0.384 |
|
| 2019 |
Garlyyev B, Fichtner J, Piqué O, Schneider O, Bandarenka AS, Calle-Vallejo F. Revealing the nature of active sites in electrocatalysis. Chemical Science. 10: 8060-8075. PMID 31857876 DOI: 10.1039/C9Sc02654A |
0.304 |
|
| 2019 |
Granda-Marulanda LP, Builes S, Koper MTM, Calle-Vallejo F. Influence of Van der Waals interactions on the solvation energies of adsorbates at Pt-based electrocatalysts. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 31348598 DOI: 10.1002/cphc.201900512 |
0.521 |
|
| 2019 |
Retuerto M, Calle-Vallejo F, Pascual L, Lumbeeck G, Fernandez-Diaz MT, Croft M, Gopalakrishnan J, Peña MA, Hadermann J, Greenblatt M, Rojas S. LaSrNiMnRuO Double Perovskite with Enhanced ORR/OER Bifunctional Catalytic Activity. Acs Applied Materials & Interfaces. PMID 31117426 DOI: 10.1021/Acsami.9B02077 |
0.321 |
|
| 2018 |
Hersbach TJP, McCrum I, Anastasiadou D, Wever R, Calle-Vallejo F, Koper MTM. Alkali metal cation effects in structuring Pt, Rh and Au surfaces through cathodic corrosion. Acs Applied Materials & Interfaces. PMID 30351902 DOI: 10.1021/Acsami.8B13883 |
0.57 |
|
| 2018 |
Rück M, Bandarenka A, Calle-Vallejo F, Gagliardi A. Oxygen Reduction Reaction: Rapid Prediction of Mass Activity of Nanostructured Platinum Electrocatalysts. The Journal of Physical Chemistry Letters. 9: 4463-4468. PMID 30028631 DOI: 10.1021/Acs.Jpclett.8B01864 |
0.308 |
|
| 2017 |
Pohl MD, Watzele S, Calle-Vallejo F, Bandarenka AS. Nature of Highly Active Electrocatalytic Sites for the Hydrogen Evolution Reaction at Pt Electrodes in Acidic Media. Acs Omega. 2: 8141-8147. PMID 31457359 DOI: 10.1021/acsomega.7b01126 |
0.382 |
|
| 2017 |
Perez-Gallent E, Marcandalli G, Figueiredo MC, Calle-Vallejo F, Koper MTM. Structure and potential dependent cation effects on CO reduction at copper single-crystal electrodes. Journal of the American Chemical Society. PMID 29064691 DOI: 10.1021/jacs.7b10142 |
0.521 |
|
| 2017 |
He ZD, Hanselman S, Chen YX, Koper MTM, Calle-Vallejo F. Importance of Solvation for the Accurate Prediction of Oxygen Reduction Activities of Pt-Based Electrocatalysts. The Journal of Physical Chemistry Letters. 8: 2243-2246. PMID 28514862 DOI: 10.1021/Acs.Jpclett.7B01018 |
0.493 |
|
| 2017 |
Calle-Vallejo F, Pohl MD, Reinisch D, Loffreda D, Sautet P, Bandarenka AS. Why conclusions from platinum model surfaces do not necessarily lead to enhanced nanoparticle catalysts for the oxygen reduction reaction. Chemical Science. 8: 2283-2289. PMID 28451330 DOI: 10.1039/C6Sc04788B |
0.56 |
|
| 2017 |
Pérez-Gallent E, Figueiredo MC, Calle-Vallejo F, Koper MT. Spectroscopic Observation of a Hydrogenated CO Dimer Intermediate During CO Reduction on Cu(100) Electrodes. Angewandte Chemie (International Ed. in English). PMID 28230297 DOI: 10.1002/anie.201700580 |
0.494 |
|
| 2016 |
Hersbach TJ, Mints VA, Calle-Vallejo F, Yanson AI, Koper MT. Anisotropic etching of rhodium and gold as the onset of nanoparticle formation by cathodic corrosion. Faraday Discussions. PMID 27722596 DOI: 10.1039/C6Fd00078A |
0.685 |
|
| 2016 |
de Morais RF, Kerber T, Calle-Vallejo F, Sautet P, Loffreda D. Capturing Solvation Effects at a Liquid/Nanoparticle Interface by Ab Initio Molecular Dynamics: Pt Immersed in Water. Small (Weinheim An Der Bergstrasse, Germany). 12: 5312-5319. PMID 27531424 DOI: 10.1002/Smll.201601307 |
0.471 |
|
| 2016 |
Kolb MJ, Farber RG, Derouin J, Badan C, Calle-Vallejo F, Juurlink LB, Killelea DR, Koper MT. Double-Stranded Water on Stepped Platinum Surfaces. Physical Review Letters. 116: 136101. PMID 27081992 DOI: 10.1103/Physrevlett.116.136101 |
0.487 |
|
| 2016 |
Tymoczko J, Calle-Vallejo F, Schuhmann W, Bandarenka AS. Making the hydrogen evolution reaction in polymer electrolyte membrane electrolysers even faster. Nature Communications. 7: 10990. PMID 26960565 DOI: 10.1038/Ncomms10990 |
0.332 |
|
| 2015 |
Kortlever R, Shen J, Schouten KJ, Calle-Vallejo F, Koper MT. Catalysts and Reaction Pathways for the Electrochemical Reduction of Carbon Dioxide. The Journal of Physical Chemistry Letters. 6: 4073-4082. PMID 26722779 DOI: 10.1021/acs.jpclett.5b01559 |
0.482 |
|
| 2015 |
Calle-Vallejo F, Tymoczko J, Colic V, Vu QH, Pohl MD, Morgenstern K, Loffreda D, Sautet P, Schuhmann W, Bandarenka AS. Finding optimal surface sites on heterogeneous catalysts by counting nearest neighbors. Science (New York, N.Y.). 350: 185-9. PMID 26450207 DOI: 10.1126/Science.Aab3501 |
0.53 |
|
| 2015 |
Kolb MJ, Wermink J, Calle-Vallejo F, Juurlink LB, Koper MT. Initial stages of water solvation of stepped platinum surfaces. Physical Chemistry Chemical Physics : Pccp. PMID 26327406 DOI: 10.1039/c5cp04468e |
0.516 |
|
| 2015 |
Calle-Vallejo F, Loffreda D, Koper MT, Sautet P. Introducing structural sensitivity into adsorption-energy scaling relations by means of coordination numbers. Nature Chemistry. 7: 403-10. PMID 25901818 DOI: 10.1038/Nchem.2226 |
0.621 |
|
| 2014 |
Calle-Vallejo F, Sautet P, Loffreda D. Understanding Adsorption-Induced Effects on Platinum Nanoparticles: An Energy-Decomposition Analysis. The Journal of Physical Chemistry Letters. 5: 3120-4. PMID 26276322 DOI: 10.1021/Jz501263E |
0.505 |
|
| 2014 |
Li H, Li Y, Koper MT, Calle-Vallejo F. Bond-making and breaking between carbon, nitrogen, and oxygen in electrocatalysis. Journal of the American Chemical Society. 136: 15694-701. PMID 25314268 DOI: 10.1021/ja508649p |
0.548 |
|
| 2014 |
Schouten KJ, Calle-Vallejo F, Koper MT. A step closer to the electrochemical production of liquid fuels. Angewandte Chemie (International Ed. in English). 53: 10858-60. PMID 25082079 DOI: 10.1002/anie.201406174 |
0.411 |
|
| 2014 |
Calle-Vallejo F, Martínez JI, García-Lastra JM, Sautet P, Loffreda D. Fast prediction of adsorption properties for platinum nanocatalysts with generalized coordination numbers. Angewandte Chemie (International Ed. in English). 53: 8316-9. PMID 24919964 DOI: 10.1002/Anie.201402958 |
0.565 |
|
| 2014 |
Kolb MJ, Calle-Vallejo F, Juurlink LB, Koper MT. Density functional theory study of adsorption of H2O, H, O, and OH on stepped platinum surfaces. The Journal of Chemical Physics. 140: 134708. PMID 24712809 DOI: 10.1063/1.4869749 |
0.537 |
|
| 2013 |
Li H, Calle-Vallejo F, Kolb MJ, Kwon Y, Li Y, Koper MT. Why (1 0 0) terraces break and make bonds: oxidation of dimethyl ether on platinum single-crystal electrodes. Journal of the American Chemical Society. 135: 14329-38. PMID 23980577 DOI: 10.1021/ja406655q |
0.582 |
|
| 2013 |
Calle-Vallejo F, Koper MT. Theoretical considerations on the electroreduction of CO to C2 species on Cu(100) electrodes. Angewandte Chemie (International Ed. in English). 52: 7282-5. PMID 23733719 DOI: 10.1002/anie.201301470 |
0.428 |
|
| 2013 |
Zeng Z, Calle-Vallejo F, Mogensen MB, Rossmeisl J. Generalized trends in the formation energies of perovskite oxides. Physical Chemistry Chemical Physics : Pccp. 15: 7526-33. PMID 23579382 DOI: 10.1039/c3cp50257k |
0.587 |
|
| 2013 |
Calle-Vallejo F, Koper MT, Bandarenka AS. Tailoring the catalytic activity of electrodes with monolayer amounts of foreign metals. Chemical Society Reviews. 42: 5210-30. PMID 23549635 DOI: 10.1039/C3Cs60026B |
0.542 |
|
| 2013 |
Calle-Vallejo F, Huang M, Henry JB, Koper MT, Bandarenka AS. Theoretical design and experimental implementation of Ag/Au electrodes for the electrochemical reduction of nitrate. Physical Chemistry Chemical Physics : Pccp. 15: 3196-202. PMID 23344855 DOI: 10.1039/C2Cp44620K |
0.556 |
|
| 2012 |
Bandarenka AS, Varela AS, Karamad M, Calle-Vallejo F, Bech L, Perez-Alonso FJ, Rossmeisl J, Stephens IE, Chorkendorff I. Design of an active site towards optimal electrocatalysis: overlayers, surface alloys and near-surface alloys of Cu/Pt(111). Angewandte Chemie (International Ed. in English). 51: 11845-8. PMID 23090863 DOI: 10.1002/Anie.201205314 |
0.644 |
|
| 2012 |
Su HY, Gorlin Y, Man IC, Calle-Vallejo F, Nørskov JK, Jaramillo TF, Rossmeisl J. Identifying active surface phases for metal oxide electrocatalysts: a study of manganese oxide bi-functional catalysts for oxygen reduction and water oxidation catalysis. Physical Chemistry Chemical Physics : Pccp. 14: 14010-22. PMID 22990481 DOI: 10.1039/C2Cp40841D |
0.705 |
|
| 2011 |
Calle-Vallejo F, Martínez JI, Rossmeisl J. Density functional studies of functionalized graphitic materials with late transition metals for Oxygen Reduction Reactions. Physical Chemistry Chemical Physics : Pccp. 13: 15639-43. PMID 21796295 DOI: 10.1039/c1cp21228a |
0.636 |
|
| 2011 |
Stephens IE, Bondarenko AS, Perez-Alonso FJ, Calle-Vallejo F, Bech L, Johansson TP, Jepsen AK, Frydendal R, Knudsen BP, Rossmeisl J, Chorkendorff I. Tuning the activity of Pt(111) for oxygen electroreduction by subsurface alloying. Journal of the American Chemical Society. 133: 5485-91. PMID 21417329 DOI: 10.1021/Ja111690G |
0.652 |
|
| 2010 |
Calle-Vallejo F, Martínez JI, García-Lastra JM, Mogensen M, Rossmeisl J. Trends in stability of perovskite oxides. Angewandte Chemie (International Ed. in English). 49: 7699-701. PMID 20836100 DOI: 10.1002/anie.201002301 |
0.538 |
|
| 2009 |
Andersson KJ, Calle-Vallejo F, Rossmeisl J, Chorkendorff I. Adsorption-driven surface segregation of the less reactive alloy component. Journal of the American Chemical Society. 131: 2404-7. PMID 19166291 DOI: 10.1021/Ja8089087 |
0.621 |
|
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