Our research seeks to determine the propane dehydrogenation (PDH) reaction pathways using various transition-metal cluster catalysts. We are studying the first step of the reaction, in which a C-H bond is broken. This has been previously shown to be the rate-limiting step of the PDH reaction. We are calculating the PDH activation energy (Ea) using the Vienna Ab-Initio Simulation Package (VASP) in conjunction with the nudged elastic band algorithm. Thus far, we have studied Pt, Ta, and Ni clusters ranging in size from 2-10 atoms. Our goal is to better understand the dependence of Ea on metal type and cluster size
Developing more reactive and selective catalysts for petrochemical refining, specifically the dehydr...
Recent interest in so-called single-atom catalysts raises the question of how single transition meta...
Propane dehydrogenation is a critical process of producing propylene, an important feedstock for the...
Our research seeks to determine the propane dehydrogenation (PDH) reaction pathways using various tr...
Propane dehydrogenation (PDH) is used to produce propene, which is the primary building block for ma...
Developing more reactive and selective catalysts for petrochemical refining and synthesis, specifica...
Developing more reactive and selective catalysts for petrochemical refining and synthesis, specifica...
Developing more reactive and selective catalysts for petrochemical refining and synthesis, specifica...
Developing more reactive and selective catalysts for petrochemical refining and synthesis, specifica...
Developing more reactive and selective catalysts for petrochemical refining and synthesis, specifica...
The d-band model has been useful in understanding how adsorbate molecules form bonds and interact wi...
The d-band model has been useful in understanding how adsorbate molecules form bonds and interact wi...
The d-band model has been useful in understanding how adsorbate molecules form bonds and interact wi...
Propane dehydrogenation (PDH) is used to produce propene, which is the primary building block for ma...
The d-band model has been useful in understanding how adsorbate molecules form bonds and interact wi...
Developing more reactive and selective catalysts for petrochemical refining, specifically the dehydr...
Recent interest in so-called single-atom catalysts raises the question of how single transition meta...
Propane dehydrogenation is a critical process of producing propylene, an important feedstock for the...
Our research seeks to determine the propane dehydrogenation (PDH) reaction pathways using various tr...
Propane dehydrogenation (PDH) is used to produce propene, which is the primary building block for ma...
Developing more reactive and selective catalysts for petrochemical refining and synthesis, specifica...
Developing more reactive and selective catalysts for petrochemical refining and synthesis, specifica...
Developing more reactive and selective catalysts for petrochemical refining and synthesis, specifica...
Developing more reactive and selective catalysts for petrochemical refining and synthesis, specifica...
Developing more reactive and selective catalysts for petrochemical refining and synthesis, specifica...
The d-band model has been useful in understanding how adsorbate molecules form bonds and interact wi...
The d-band model has been useful in understanding how adsorbate molecules form bonds and interact wi...
The d-band model has been useful in understanding how adsorbate molecules form bonds and interact wi...
Propane dehydrogenation (PDH) is used to produce propene, which is the primary building block for ma...
The d-band model has been useful in understanding how adsorbate molecules form bonds and interact wi...
Developing more reactive and selective catalysts for petrochemical refining, specifically the dehydr...
Recent interest in so-called single-atom catalysts raises the question of how single transition meta...
Propane dehydrogenation is a critical process of producing propylene, an important feedstock for the...