What is the Role of Formation Energies in Catalyst Design?
Formation energies play a pivotal role in catalyst design by guiding the selection of materials and optimizing reaction conditions. Some key aspects include:
Material Selection: Catalysts with low formation energies are generally more stable and efficient. Researchers often screen materials based on their formation energies to identify promising candidates. Reaction Conditions: Understanding the formation energies of various intermediates helps in fine-tuning reaction conditions such as temperature and pressure to achieve optimal performance. Surface Chemistry: Formation energies are crucial in studying the adsorption and desorption processes on the catalyst surface, which directly affect catalytic activity.
