There are several properties of heterogeneous metal oxide catalysts that remain unexplored as drivers of surface catalytic reactions. Many publications focus on the material’s surface area as the main descriptor. However, many recent studies have proved the central role played by intrinsic properties such as electron densities, oxygen vacancies often referred to as crystal defects, and metal ratios in the case of multicationic oxides. As it stands, many of these parameters remain open questions in heterogeneous catalysis. A drawback of supported catalysts and/or metal oxides is the leaching out of active metals from the catalyst matrix. Therefore, it is crucial to design heterogeneous catalysts that retain their structural integrity under harsh reaction conditions such as those employed in Fischer-Tropsch, oxidation, and chemical looping reactions, to name a few. To design such heterogeneous catalysts requires careful manipulation of structural properties of the catalyst for a substrate-specific reaction.
To design novel heterogeneous catalysts, scientists need a comprehensive understanding of all factors central to catalytic activity. Therefore, the first step is engineered catalyst parameters that enhance catalytic activity. Secondly, in-depth studies to draw catalytic trends with various substrates becomes essential. Lastly, the understating of the developed catalysts can be extended to other reactions to test the validity of the study of catalyst’s intrinsic properties. Therefore, the main goals of this Research Topic are:
1. Fabrication of highly stable heterogeneous catalysts
2. Engineering of catalytically active site in heterogeneously catalysed reactions for all applicable interfaces of heterogeneous catalysis
3. Development of mechanistic pathways in heterogeneous transformations
4. Development of AI algorithms for the selection of metal combinations for substrate-specific reactions. The AI inputs are essential in the design of catalysts. Furthermore, optimization time of catalyst parameters is significantly reduced by utilization of AI optimization. Currently, one parameter optimization at a time is slowing down catalyst design and development. The use of AI algorithms is slowly gaining interest and proved to be successful in the few reports that have been published so far.
We therefore welcome Original Research, Review, Mini Review and Perspective articles on themes including, but not limited to:
• Metal oxides in heterogeneous catalysis
• Surface kinetics on metal oxide surfaces
• Conversion of bioderived molecules over metal oxide catalysts
• Metal oxides for energy processes
• Adsorption studies on metal oxides surfaces
• AI aided design of heterogeneous catalysts.
Keywords:
Metal oxides, heterogeneous catalysis, kinetics, adsorption, biomass
Important Note:
All contributions to this Research Topic must be within the scope of the section and journal to which they are submitted, as defined in their mission statements. Frontiers reserves the right to guide an out-of-scope manuscript to a more suitable section or journal at any stage of peer review.
There are several properties of heterogeneous metal oxide catalysts that remain unexplored as drivers of surface catalytic reactions. Many publications focus on the material’s surface area as the main descriptor. However, many recent studies have proved the central role played by intrinsic properties such as electron densities, oxygen vacancies often referred to as crystal defects, and metal ratios in the case of multicationic oxides. As it stands, many of these parameters remain open questions in heterogeneous catalysis. A drawback of supported catalysts and/or metal oxides is the leaching out of active metals from the catalyst matrix. Therefore, it is crucial to design heterogeneous catalysts that retain their structural integrity under harsh reaction conditions such as those employed in Fischer-Tropsch, oxidation, and chemical looping reactions, to name a few. To design such heterogeneous catalysts requires careful manipulation of structural properties of the catalyst for a substrate-specific reaction.
To design novel heterogeneous catalysts, scientists need a comprehensive understanding of all factors central to catalytic activity. Therefore, the first step is engineered catalyst parameters that enhance catalytic activity. Secondly, in-depth studies to draw catalytic trends with various substrates becomes essential. Lastly, the understating of the developed catalysts can be extended to other reactions to test the validity of the study of catalyst’s intrinsic properties. Therefore, the main goals of this Research Topic are:
1. Fabrication of highly stable heterogeneous catalysts
2. Engineering of catalytically active site in heterogeneously catalysed reactions for all applicable interfaces of heterogeneous catalysis
3. Development of mechanistic pathways in heterogeneous transformations
4. Development of AI algorithms for the selection of metal combinations for substrate-specific reactions. The AI inputs are essential in the design of catalysts. Furthermore, optimization time of catalyst parameters is significantly reduced by utilization of AI optimization. Currently, one parameter optimization at a time is slowing down catalyst design and development. The use of AI algorithms is slowly gaining interest and proved to be successful in the few reports that have been published so far.
We therefore welcome Original Research, Review, Mini Review and Perspective articles on themes including, but not limited to:
• Metal oxides in heterogeneous catalysis
• Surface kinetics on metal oxide surfaces
• Conversion of bioderived molecules over metal oxide catalysts
• Metal oxides for energy processes
• Adsorption studies on metal oxides surfaces
• AI aided design of heterogeneous catalysts.
Keywords:
Metal oxides, heterogeneous catalysis, kinetics, adsorption, biomass
Important Note:
All contributions to this Research Topic must be within the scope of the section and journal to which they are submitted, as defined in their mission statements. Frontiers reserves the right to guide an out-of-scope manuscript to a more suitable section or journal at any stage of peer review.