Perpustakaan Digital ITB

The morphology change of metallic nanoparticles induced by the interaction of gas molecules with nanoparticles is a very important surface chemistry process in heterogeneous catalysis. Here, we performed a thorough study to provide understanding of the influence of CO adsorption on theoretically established Ru nanoparticle models through an approach combining density functional theory, Wulff construction, and ab initio atomistic thermodynamics. The morphology of constructed Ru nanoparticles undergoes significant evolution upon changing CO coverage, exposed temperature, and pressure.....