TY - JOUR
T1 - Recommendations for improving rigor and reproducibility in site specific characterization
AU - Wrasman, Cody J.
AU - Bell, Alexis T.
AU - Chandler, Bert D.
AU - Harris, James W.
AU - Kwon, Stephanie
AU - Ball, Madelyn R.
AU - Krishna, Siddarth H.
AU - Khatib, Sheima J.
AU - Bollini, Praveen
AU - Román-Leshkov, Yuriy
AU - “Bean” Getsoian, Andrew
AU - Weber, Robert S.
AU - Lercher, Johannes A.
AU - Liu, Dongxia
AU - Resasco, Daniel E.
AU - Bates, Jason S.
AU - Hall, Jacklyn N.
AU - Lebrón-Rodríguez, Edgard A.
AU - Paz Herrera, Laura
AU - Notestein, Justin M.
AU - Schaidle, Joshua A.
N1 - Publisher Copyright:
© 2024
PY - 2024/5
Y1 - 2024/5
N2 - Heterogeneous catalysis is driven by the interaction of reactant molecules and the catalyst surface. The locus of this interaction as well as the surrounding ensemble of atoms is referred to as the catalyst active site. Active site characterization attempts to distinguish active catalytic sites from inactive surface sites, to elucidate the structural and chemical nature of active sites, and to quantify active site concentration. Numerous techniques have been demonstrated to provide compositional and structural information about the active sites within a catalyst. However, each technique has its own limitations and experimental pitfalls that can lead to data misinterpretation or irreproducible results. This work aims to provide an overview of the types of data that can be collected, to outline common experimental challenges and how to avoid them, and to assemble relevant references for the most used active site characterization techniques. More broadly, we aim to outline best practices for researchers to collect, interpret, and report active site characterization data in a way that provides the most benefit to the broader catalysis community. Increasing the rigor and reproducibility of active site characterization offers a strategy to better link properties with catalytic performance and to enable the community to develop consensus concerning these relationships.
AB - Heterogeneous catalysis is driven by the interaction of reactant molecules and the catalyst surface. The locus of this interaction as well as the surrounding ensemble of atoms is referred to as the catalyst active site. Active site characterization attempts to distinguish active catalytic sites from inactive surface sites, to elucidate the structural and chemical nature of active sites, and to quantify active site concentration. Numerous techniques have been demonstrated to provide compositional and structural information about the active sites within a catalyst. However, each technique has its own limitations and experimental pitfalls that can lead to data misinterpretation or irreproducible results. This work aims to provide an overview of the types of data that can be collected, to outline common experimental challenges and how to avoid them, and to assemble relevant references for the most used active site characterization techniques. More broadly, we aim to outline best practices for researchers to collect, interpret, and report active site characterization data in a way that provides the most benefit to the broader catalysis community. Increasing the rigor and reproducibility of active site characterization offers a strategy to better link properties with catalytic performance and to enable the community to develop consensus concerning these relationships.
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U2 - 10.1016/j.jcat.2024.115451
DO - 10.1016/j.jcat.2024.115451
M3 - Article
AN - SCOPUS:85189754566
SN - 0021-9517
VL - 433
JO - Journal of Catalysis
JF - Journal of Catalysis
M1 - 115451
ER -