Calle-Vallejo F - Search Results

1

Finding Key Factors for Efficient Water and Methanol Activation at Metals, Oxides, MXenes, and Metal/Oxide Interfaces.

Su HY, Sun K, Gu XK, Wang SS, Zhu J, Li WX, Sun C, Calle-Vallejo F. Su HY, et al. ACS Catal. 2022 Jan 21;12(2):1237-1246. doi: 10.1021/acscatal.1c03405. Epub 2022 Jan 5. ACS Catal. 2022. PMID: 35096469 Free PMC article.

2

Identifying active surface phases for metal oxide electrocatalysts: a study of manganese oxide bi-functional catalysts for oxygen reduction and water oxidation catalysis.

Su HY, Gorlin Y, Man IC, Calle-Vallejo F, Nørskov JK, Jaramillo TF, Rossmeisl J. Su HY, et al. Phys Chem Chem Phys. 2012 Oct 28;14(40):14010-22. doi: 10.1039/c2cp40841d. Epub 2012 Sep 18. Phys Chem Chem Phys. 2012. PMID: 22990481

3

Establishing and Understanding Adsorption-Energy Scaling Relations with Negative Slopes.

Su HY, Sun K, Wang WQ, Zeng Z, Calle-Vallejo F, Li WX. Su HY, et al. J Phys Chem Lett. 2016 Dec 15;7(24):5302-5306. doi: 10.1021/acs.jpclett.6b02430. Epub 2016 Dec 8. J Phys Chem Lett. 2016. PMID: 27973860

4

Trends in C-O and N-O bond scission on rutile oxides described using oxygen vacancy formation energies.

Su HY, Ma X, Sun K, Sun C, Xu Y, Calle-Vallejo F. Su HY, et al. Chem Sci. 2020 Mar 23;11(16):4119-4124. doi: 10.1039/d0sc00534g. Chem Sci. 2020. PMID: 34122877 Free PMC article.

5

Impact of Intrinsic Density Functional Theory Errors on the Predictive Power of Nitrogen Cycle Electrocatalysis Models.

Urrego-Ortiz R, Builes S, Calle-Vallejo F. Urrego-Ortiz R, et al. ACS Catal. 2022 Apr 15;12(8):4784-4791. doi: 10.1021/acscatal.1c05333. Epub 2022 Apr 6. ACS Catal. 2022. PMID: 35465243 Free PMC article. No abstract available.

6

Cation Effects on the Adsorbed Intermediates of CO₂ Electroreduction Are Systematic and Predictable.

Sargeant E, Rodriguez P, Calle-Vallejo F. Sargeant E, et al. Among authors: calle vallejo f. ACS Catal. 2024 May 23;14(11):8814-8822. doi: 10.1021/acscatal.4c00727. eCollection 2024 Jun 7. ACS Catal. 2024. PMID: 38868103 Free PMC article.

7

On the behavior of Brønsted-Evans-Polanyi relations for transition metal oxides.

Vojvodic A, Calle-Vallejo F, Guo W, Wang S, Toftelund A, Studt F, Martínez JI, Shen J, Man IC, Rossmeisl J, Bligaard T, Noørskov JK, Abild-Pedersen F. Vojvodic A, et al. J Chem Phys. 2011 Jun 28;134(24):244509. doi: 10.1063/1.3602323. J Chem Phys. 2011. PMID: 21721645 Free article.

8

Extracting Features of Active Transition Metal Electrodes for NO Electroreduction with Catalytic Matrices.

Romeo E, Lezana-Muralles MF, Illas F, Calle-Vallejo F. Romeo E, et al. Among authors: calle vallejo f. ACS Appl Mater Interfaces. 2023 May 10;15(18):22176-22183. doi: 10.1021/acsami.3c03385. Epub 2023 Apr 25. ACS Appl Mater Interfaces. 2023. PMID: 37098248 Free PMC article.

9

Enhanced Electroreduction of Carbon Dioxide to Methanol Using Zinc Dendrites Pulse-Deposited on Silver Foam.

Low QH, Loo NWX, Calle-Vallejo F, Yeo BS. Low QH, et al. Angew Chem Int Ed Engl. 2019 Feb 18;58(8):2256-2260. doi: 10.1002/anie.201810991. Epub 2019 Jan 29. Angew Chem Int Ed Engl. 2019. PMID: 30565358

10

Nature of Highly Active Electrocatalytic Sites for the Hydrogen Evolution Reaction at Pt Electrodes in Acidic Media.

Pohl MD, Watzele S, Calle-Vallejo F, Bandarenka AS. Pohl MD, et al. ACS Omega. 2017 Nov 20;2(11):8141-8147. doi: 10.1021/acsomega.7b01126. eCollection 2017 Nov 30. ACS Omega. 2017. PMID: 31457359 Free PMC article.

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