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42. Selective glucose oxidation to glucaric acid using bimetallic catalysts : lattice expansion or electronic structure effect?Žan Lavrič, Janvit Teržan, Ana Kroflič, Janez Zavašnik, Joanna E. Olszówka, Štefan Vajda, Matej Huš, Miha Grilc, Blaž Likozar, 2024, original scientific article Abstract: 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.
Keywords: glucaric acid, glucose oxidation, catalyst characterization, density functional theory, microkinetic modelling
Published in DiRROS: 06.12.2023; Views: 202; Downloads: 117
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49. Optimization method based on simplex for surface area improved photocatalytic performance of ▫$g-C_3N_4$▫Matevž Roškarič, Janez Zavašnik, Dániel Dániel Zámbó, Tomaž Kotnik, Sebastijan Kovačič, Gregor Žerjav, Albin Pintar, 2023, original scientific article Abstract: The main objective of the present study was to increase the specific surface area (SBET) of graphitic carbon nitride (g-C3N4) prepared from dicyandiamide by effectively modifying the synthesis procedure using the Simplex optimization method. A remarkable increase in SBET was achieved in only a few steps, with the highest value of 86 m2/g. Compared to the reference material, the improved photocatalyst exhibited enhanced and unique structural, textural, optical, and electronic properties, reflected in the improved ability of the photocatalyst to degrade a variety of organic pollutants dissolved in water. By performing scavenger and spin-trapping experiments, it was confirmed that the major reactive oxygen species formed under visible-light illumination of the enhanced photocatalyst were singlet oxygen (1O2) and superoxide anion radicals (O2–•) with a purposed formation mechanism. The enhanced formation of 1O2 enabled high activity and stability of the optimized materials as well as selective response to degradation of the pharmaceutical compounds studied. By using the simple and fast Simplex optimization algorithm to determine new synthesis parameters, we obtained an improved g-C3N4 that completely degrades bisphenol A under the conditions studied.
Published in DiRROS: 08.11.2023; Views: 236; Downloads: 130
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50. Humidity sensing ceria thin-filmsVilko Mandić, Arijeta Bafti, Luka Pavić, Ivana Panžić, Stanislav Kurajica, Jakov-Stjepan Pavelić, Zhen Shi, Katarina Mužina, Ivana Katarina Ivković, 2022, original scientific article Published in DiRROS: 07.11.2023; Views: 217; Downloads: 109
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