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Revealing the structure of a catalytic combustion active-site ensemble combining uniform nanocrystal catalysts and theory insights.
Yang AC, Choksi T, Streibel V, Aljama H, Wrasman CJ, Roling LT, Goodman ED, Thomas D, Bare SR, Sánchez-Carrera RS, Schäfer A, Li Y, Abild-Pedersen F, Cargnello M. Yang AC, et al. Proc Natl Acad Sci U S A. 2020 Jun 30;117(26):14721-14729. doi: 10.1073/pnas.2002342117. Epub 2020 Jun 17. Proc Natl Acad Sci U S A. 2020. PMID: 32554500 Free PMC article.
Density functional theory in surface chemistry and catalysis.
Nørskov JK, Abild-Pedersen F, Studt F, Bligaard T. Nørskov JK, et al. Proc Natl Acad Sci U S A. 2011 Jan 18;108(3):937-43. doi: 10.1073/pnas.1006652108. Epub 2011 Jan 10. Proc Natl Acad Sci U S A. 2011. PMID: 21220337 Free PMC article.
Mechanistic insights into heterogeneous methane activation.
Latimer AA, Aljama H, Kakekhani A, Yoo JS, Kulkarni A, Tsai C, Garcia-Melchor M, Abild-Pedersen F, Nørskov JK. Latimer AA, et al. Phys Chem Chem Phys. 2017 Feb 1;19(5):3575-3581. doi: 10.1039/c6cp08003k. Phys Chem Chem Phys. 2017. PMID: 28094377
Nature of Lone-Pair-Surface Bonds and Their Scaling Relations.
Kakekhani A, Roling LT, Kulkarni A, Latimer AA, Abroshan H, Schumann J, AlJama H, Siahrostami S, Ismail-Beigi S, Abild-Pedersen F, Nørskov JK. Kakekhani A, et al. Inorg Chem. 2018 Jun 18;57(12):7222-7238. doi: 10.1021/acs.inorgchem.8b00902. Epub 2018 Jun 4. Inorg Chem. 2018. PMID: 29863849
73 results