lattice expansion or electronic structure effect?
Žan Lavrič (Author), Janvit Teržan (Author), Ana Kroflič (Author), Janez Zavašnik (Author), Joanna E. Olszówka (Author), Štefan Vajda (Author), Matej Huš (Author), Miha Grilc (Author), Blaž Likozar (Author)

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

kemijska tehnologija;glukoza;katalizatorji;teorija gostotnih funkcionalov;DFT;glucaric acid;glucose oxidation;catalyst characterization;density functional theory;microkinetic modelling;

Data

Language: English
Year of publishing:
Typology: 1.01 - Original Scientific Article
Organization: KI - National Institute of Chemistry
Publisher: Elsevier
UDC: 66
COBISS: 172057091 Link will open in a new window
ISSN: 1873-3883
Views: 8
Downloads: 3
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Other data

Secondary language: Slovenian
Secondary title: Selective glucose oxidation to glucaric acid using bimetallic catalysts : lattice expansion or electronic structure effect
Secondary keywords: kemijska tehnologija;glukoza;katalizatorji;teorija gostotnih funkcionalov;DFT;
Source comment: 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;
Pages: str. 1-15
Volume: ǂVol. ǂ343,
Issue: [article no.] 123455
Chronology: Apr. 2024
DOI: 10.1016/j.apcatb.2023.123455
ID: 21493027