20.500.12556/DiRROS-17462 Selective glucose oxidation to glucaric acid using bimetallic catalysts lattice expansion or electronic structure effect? Selective glucose oxidation to glucaric acid using bimetallic catalysts : lattice expansion or electronic structure effect Our study presents a comprehensive approach for the selective oxidation of glucose to glucaric acid (GA) by heterogeneous catalysis. We have synthesized and characterized Au/ZrO2, AuCu/ZrO2 and AuPt/ZrO2 catalysts using X-ray diffraction (XRD), transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS), and oxygen pulse chemisorption (OPS) techniques. Combining experimental observations with in-depth density functional theory (DFT) studies, we found that bimetallic catalysts form alloys, which exhibit different characteristics than monometallic counterparts for the given reaction. We performed batch reactions, varying temperature and oxygen pressure, and used the data to construct a predictive microkinetic model. As it turned out, AuPt/ZrO2 showed the highest selectivity, yielding 32 % of GA at 100 °C and 30 barg O2. Our results provide valuable insights for the developing of efficient catalysts and point out the bottlenecks for the oxidation of glucose to GA. glucaric acid glucose oxidation catalyst characterization density functional theory microkinetic modelling kemijska tehnologija glukoza katalizatorji teorija gostotnih funkcionalov DFT true false true Elsevier Applied Catalysis B: Environmental Angleški jezik Slovenski jezik © 2023 The Authors. Published by Elsevier B.V. Neznano 2023-12-06 09:09:34 2023-12-06 09:25:25 2023-12-07 03:38:52 0000-00-00 00:00:00 2024 0 0 Nasl. z nasl. zaslona; Soavtorji iz Slovenije: Janvit Teržan, Ana Kroflič, Janez Zavašnik, Matej Huš, Miha Grilc, Blaž Likozar; Opis vira z dne 14. 11. 2023; str. 1-15 article no. 123455 Vol. 343, Apr. 2024 0000-00-00 Zaloznikova Objavljeno NiDoloceno 0000-00-00 0000-00-00 2024-04-01 66 1873-3883 10.1016/j.apcatb.2023.123455 172057091 https://www.sciencedirect.com/science/article/pii/S0926337323010986?via%3Dihub 1 6c66c6a9-9406-11ee-9ccb-001a4af901a5 https://dirros.openscience.si/Dokument.php?lang=slv&id=23718 RAZ_Lavric_Zan_2024.pdf RAZ_Lavric_Zan_2024.pdf 1 0ABF682A7B8734861463DC0058D263F5 6afa55296c514c6b6ca18c0e89d80dceada05fdc04cfabbf6846f551218f2716 71aa2a60-9408-11ee-9ccb-001a4af901a5 https://dirros.openscience.si/Dokument.php?lang=slv&id=23719 Kemijski inštitut 0 0 0