Electrochemical Reduction of CO2 using Cu-Pd clusters on Graphene

In this study, five copper-palladium clusters supported on defective graphene were investigated as catalysts for the electrochemical reduction of CO2 using the first-principles approach and the computational hydrogen electrode model. The limiting potential to reduce CO2 to CH4 using five different copper-palladium catalysts was determined. Of all the catalysts studied, the best one was the Cu2Pd cluster. This cluster showed the lowest necessary overpotential (0.93 V) out of all the catalysts examined to produce CH4. Reaction pathways to produce a variety of C1 products CO, HCOOH, HCHO, CH3OH and CH4 was studied in detail for Cu2Pd. From the pathways, it was determined that it will likely produce CH4 and HCOOH

Computational Study of the Electronic Structure of Various Cobalt (Hydroxy) Oxides in Electrolysis Reactions

In their electrolysis reaction to produce H 2 fuel, the Solar Thermal Decoupled Electrolysis group at Valparaiso University observed increased reaction rate as time goes on and proposed that the deposited products on the Ni anode might be conductive and acting as a new electrode surface. It is of great interest to gain a better understanding of the underlying mechanism. In this study, the structure and stability of various cobalt (hydroxy)oxide species on a Ni (111) surface were determined from first-principles calculations to see if the observations made by the Solar Thermal Decoupled Electrolysis group are consistent with theoretical results and what could be responsible for the extended conductive electrode. From the known bulk crystal structures of various cobalt (hydroxy)oxide species, mono-layers of each of these materials were constructed. These monolayers were then placed on a Ni (111) metal support and optimal configurations of the combined systems were determined. The electronic structure of the cobalt (hydroxy) oxide monolayers and bulks will be reported

Electrochemical Reduction of CO2 using Cu-Pd clusters on Graphene

In this study, five copper-palladium clusters supported on defective graphene were investigated as catalysts for the electrochemical reduction of CO2 using the first-principles approach and the computational hydrogen electrode model. The limiting potential to reduce CO2 to CH4 using five different copper-palladium catalysts was determined. Of all the catalysts studied, the best one was the Cu2Pd cluster. This cluster showed the lowest necessary overpotential (0.93 V) out of all the catalysts examined to produce CH4. Reaction pathways to produce a variety of C1 products CO, HCOOH, HCHO, CH3OH and CH4 was studied in detail for Cu2Pd. From the pathways, it was determined that it will likely produce CH4 and HCOOH

A Computational Study of Cu-Pd for Electrochemical CO2 Reduction

In this study, copper and palladium clusters supported on defective graphene were investigated as catalysts for the electrochemical reduction of CO2 using the first-principles approach and the computational hydrogen electrode model. The limiting potential to reduce CO2 to CH4 using these metallic catalysts was determined. From this, it was determined that the palladium clusters were the best candidates. These clusters showed the lowest necessary overpotential to produce CH4 out of all the catalysts studied. Reaction pathways to produce a variety of C1 products CO, HCOOH, HCHO, CH3OH, and CH4 were studied in detail for selected systems. Results of this analysis will be presented

A Computational Study of Cu-Pd for Electrochemical CO2 Reduction

In this study, copper and palladium clusters supported on defective graphene were investigated as catalysts for the electrochemical reduction of CO2 using the first-principles approach and the computational hydrogen electrode model. The limiting potential to reduce CO2 to CH4 using these metallic catalysts was determined. From this, it was determined that the palladium clusters were the best candidates. These clusters showed the lowest necessary overpotential to produce CH4 out of all the catalysts studied. Reaction pathways to produce a variety of C1 products CO, HCOOH, HCHO, CH3OH, and CH4 were studied in detail for selected systems. Results of this analysis will be presented

Measurement of the Temperature Dependence of the Dielectric Constant of PMMA for the nEDM Experiment at Oak Ridge National Laboratory

The nEDM experiment at Oak Ridge National Laboratory aims to search for the electric dipole moment of the neutron at the 10-28 level. The experiment is currently in the research and development phase. In the experiment, ultra-cold neutrons stored inside of a container made from PolyMethylMethAcrylate (PMMA) will be subjected to a strong electric field. In order to calculate the electric field within the box very precisely, the dielectric constant of PMMA must be known very well. The experiment will take place at 0.4K, and it is not known if the dielectric constant of PMMA changes as a function of temperature. In order to test this, a simple cryostat was constructed. PMMA was cooled down to 77K, and the dielectric constant of PMMA was measured as a function of temperature. Experimental details and results of the tests will be presented

Solar Thermal Decoupled Electrolysis: Long-term Behavior of Electrolytic Cell

The use of Co(OH)2 to facilitate the electrolytic production of H2 from stirred, highly alkaline, aqueous solutions was studied using voltammetry and bulk electrolysis at a rotating disc electrode (RDE). In agreement with theory, convection produced by the RDE increased the mass transfer to the electrode surface, which, lead to the desired increased current density over quiescent solutions. An extended form of our previously developed model was developed and used to predict the shape of cyclic and linear voltammograms for different conditions and to extract critical information and parameters for understanding the reaction mechanism. Unexpectedly, but beneficially, it was also observed that the electrode area increased during the course of bulk electrolysis as material was deposited on the anode

Solar Thermal Decoupled Electrolysis: Long-term Behavior of Electrolytic Cell

The use of Co(OH)2 to facilitate the electrolytic production of H2 from stirred, highly alkaline, aqueous solutions was studied using voltammetry and bulk electrolysis at a rotating disc electrode (RDE). In agreement with theory, convection produced by the RDE increased the mass transfer to the electrode surface, which, lead to the desired increased current density over quiescent solutions. An extended form of our previously developed model was developed and used to predict the shape of cyclic and linear voltammograms for different conditions and to extract critical information and parameters for understanding the reaction mechanism. Unexpectedly, but beneficially, it was also observed that the electrode area increased during the course of bulk electrolysis as material was deposited on the anode

Solar Thermal Decoupled Electrolysis: Long-term Behavior of Electrolytic Cell

The use of Co(OH)2 to facilitate the electrolytic production of H2 from stirred, highly alkaline, aqueous solutions was studied using voltammetry and bulk electrolysis at a rotating disc electrode (RDE). In agreement with theory, convection produced by the RDE increased the mass transfer to the electrode surface, which, lead to the desired increased current density over quiescent solutions. An extended form of our previously developed model was developed and used to predict the shape of cyclic and linear voltammograms for different conditions and to extract critical information and parameters for understanding the reaction mechanism. Unexpectedly, but beneficially, it was also observed that the electrode area increased during the course of bulk electrolysis as material was deposited on the anode

Solar Thermal Decoupled Electrolysis: Long-term Behavior of Electrolytic Cell

The use of Co(OH)2 to facilitate the electrolytic production of H2 from stirred, highly alkaline, aqueous solutions was studied using voltammetry and bulk electrolysis at a rotating disc electrode (RDE). In agreement with theory, convection produced by the RDE increased the mass transfer to the electrode surface, which, lead to the desired increased current density over quiescent solutions. An extended form of our previously developed model was developed and used to predict the shape of cyclic and linear voltammograms for different conditions and to extract critical information and parameters for understanding the reaction mechanism. Unexpectedly, but beneficially, it was also observed that the electrode area increased during the course of bulk electrolysis as material was deposited on the anode