Decoding reactive structures in dilute alloy catalysts

• Published in: Nature communications Vol. 13; no. 1; pp. 832 - 9
• Main Authors: Marcella, Nicholas, Lim, Jin Soo, Płonka, Anna M., Yan, George, Owen, Cameron J., van der Hoeven, Jessi E. S., Foucher, Alexandre C., Ngan, Hio Tong, Torrisi, Steven B., Marinkovic, Nebojsa S., Stach, Eric A., Weaver, Jason F., Aizenberg, Joanna, Sautet, Philippe, Kozinsky, Boris, Frenkel, Anatoly I.
• Format: Journal Article
• Language: English
• Published: London Nature Publishing Group UK 11.02.2022; Nature Publishing Group; Nature Portfolio
• Subjects: 119/118; 140/58; 147/28; 639/301/299/1013; 639/638/77/885; 639/638/77/887; Absorption spectroscopy; Bimetals; Catalysts; Catalytic activity; Catalytic mechanisms; Deuterium; Dilution; Energy efficiency; First principles; Gold; Heterogeneous catalysis; Humanities and Social Sciences; Hydrogen-deuterium exchange; INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; Learning algorithms; Machine learning; MATERIALS SCIENCE; Modelling; multidisciplinary; Nanoalloys; Nanoparticles; Palladium; Porous materials; Renewable energy; Science; Science (multidisciplinary); Spectrum analysis; X ray absorption; X ray spectra; X-ray absorption spectroscopy

Rational catalyst design is crucial toward achieving more energy-efficient and sustainable catalytic processes. Understanding and modeling catalytic reaction pathways and kinetics require atomic level knowledge of the active sites. These structures often change dynamically during reactions and are d...