Sautet P - Search Results

1

Grafting trimethylaluminum and its halogen derivatives on silica: general trends for (27)Al SS-NMR response from first principles calculations.

Kerber RN, Kerber T, Rozanska X, Delbecq F, Sautet P. Kerber RN, et al. Among authors: sautet p. Phys Chem Chem Phys. 2015 Oct 28;17(40):26937-45. doi: 10.1039/c5cp04109k. Phys Chem Chem Phys. 2015. PMID: 26403260

2

Atomic-Scale Mechanism of Platinum Catalyst Restructuring under a Pressure of Reactant Gas.

Sumaria V, Nguyen L, Tao FF, Sautet P. Sumaria V, et al. Among authors: sautet p. J Am Chem Soc. 2023 Jan 11;145(1):392-401. doi: 10.1021/jacs.2c10179. Epub 2022 Dec 22. J Am Chem Soc. 2023. PMID: 36548635

3

H and CO Co-Induced Roughening of Cu Surface in CO₂ Electroreduction Conditions.

Zhang Z, Gee W, Sautet P, Alexandrova AN. Zhang Z, et al. Among authors: sautet p. J Am Chem Soc. 2024 Jun 12;146(23):16119-16127. doi: 10.1021/jacs.4c03515. Epub 2024 May 30. J Am Chem Soc. 2024. PMID: 38815275 Free article.

4

Elucidating the active phases of CoO_x films on Au(111) in the CO oxidation reaction.

Chen H, Falling LJ, Kersell H, Yan G, Zhao X, Oliver-Meseguer J, Jaugstetter M, Nemsak S, Hunt A, Waluyo I, Ogasawara H, Bell AT, Sautet P, Salmeron M. Chen H, et al. Among authors: sautet p. Nat Commun. 2023 Oct 28;14(1):6889. doi: 10.1038/s41467-023-42301-7. Nat Commun. 2023. PMID: 37898599 Free PMC article.

5

Plasma Oxidation of Copper: Molecular Dynamics Study with Neural Network Potentials.

Xia Y, Sautet P. Xia Y, et al. Among authors: sautet p. ACS Nano. 2022 Dec 27;16(12):20680-20692. doi: 10.1021/acsnano.2c07712. Epub 2022 Dec 7. ACS Nano. 2022. PMID: 36475622

6

Tuning the Hydrogenation Selectivity of an Unsaturated Aldehyde via Single-Atom Alloy Catalysts.

Ngan HT, Sautet P. Ngan HT, et al. Among authors: sautet p. J Am Chem Soc. 2024 Jan 31;146(4):2556-2567. doi: 10.1021/jacs.3c10994. Epub 2024 Jan 22. J Am Chem Soc. 2024. PMID: 38252846 Free article.

7

Achieving Ultra-High Selectivity to Hydrogen Production from Formic Acid on Pd-Ag Alloys.

Karatok M, Ngan HT, Jia X, O'Connor CR, Boscoboinik JA, Stacchiola DJ, Sautet P, Madix RJ. Karatok M, et al. Among authors: sautet p. J Am Chem Soc. 2023 Mar 8;145(9):5114-5124. doi: 10.1021/jacs.2c11323. Epub 2023 Feb 27. J Am Chem Soc. 2023. PMID: 36848504

8

Catalytic hydrogenation of unsaturated aldehydes on Pt(111): understanding the selectivity from first-principles calculations.

Loffreda D, Delbecq F, Vigné F, Sautet P. Loffreda D, et al. Among authors: sautet p. Angew Chem Int Ed Engl. 2005 Aug 19;44(33):5279-82. doi: 10.1002/anie.200500913. Angew Chem Int Ed Engl. 2005. PMID: 15959919 No abstract available.

9

Chemo-regioselectivity in heterogeneous catalysis: competitive routes for C = O and C = C hydrogenations from a theoretical approach.

Loffreda D, Delbecq F, Vigné F, Sautet P. Loffreda D, et al. Among authors: sautet p. J Am Chem Soc. 2006 Feb 1;128(4):1316-23. doi: 10.1021/ja056689v. J Am Chem Soc. 2006. PMID: 16433550

10

Simulating temperature programmed desorption of water on hydrated gamma-alumina from first-principles calculations.

Joubert J, Fleurat-Lessard P, Delbecq F, Sautet P. Joubert J, et al. Among authors: sautet p. J Phys Chem B. 2006 Apr 13;110(14):7392-5. doi: 10.1021/jp056633n. J Phys Chem B. 2006. PMID: 16599515

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