Spin-mediated promotion of Co catalysts for ammonia synthesis.

Over the past two decades, there has been growing interest in developing catalysts to enable Haber-Bosch ammonia synthesis under milder conditions than currently pertain. Rational catalyst design requires theoretical guidance and clear mechanistic understanding. Recently, a spin-mediated promotion mechanism was proposed to activate traditionally unreactive magnetic materials such as cobalt (Co) for ammonia synthesis by introducing hetero metal atoms bound to the active site of the catalyst surface.

Ultra-high vacuum compatible reactor for model catalyst study of ammonia synthesis at ambient pressure.

A high sensitivity reactor was developed to study slow reactions, such as ammonia synthesis over low surface area model catalysts at 1 bar and up to 550 °C. The reactor is connected to an ultra-high vacuum system with a transferable sample design, which allows for cleaning, preparation, and spectroscopic characterization of samples before and after the reaction without exposure to any contaminated environment, such as air. A quasi-closed small volume (250 µl) quartz glass reaction cell is integrated through a capillary with a quartz glass sniffer tube connected to a mass spectrometer.

Simulated clustering dynamics of colloidal magnetic nanoparticles.

Magnetically guided self-assembly of nanoparticles is a promising bottom-up method to fabricate novel materials and superstructures, such as, for example, magnetic nanoparticle clusters for biomedical applications. The existence of assembled structures has been verified by numerous experiments, yet a comprehensive theoretical framework to explore design possibilities and predict emerging properties is missing. Here we present a model of magnetic nanoparticle interactions built upon a Langevin dynamics algorithm to simulate the time evolution and aggregation of colloidal suspensions.