Despite its advantages, rational design faces several challenges:
Complexity of Catalytic Systems: Catalytic reactions can be highly complex, involving multiple steps and intermediates. Computational Limitations: While computational tools are powerful, they can be limited by the accuracy of the models and the computational resources required. Experimental Validation: Translating computational predictions into experimental reality can be challenging and requires precise control over synthesis and characterization techniques. Scalability: Developing catalysts that are effective on a laboratory scale does not always translate to industrial-scale applications.
