Open Access. Powered by Scholars. Published by Universities.®
Physical Sciences and Mathematics Commons™
Open Access. Powered by Scholars. Published by Universities.®
- Discipline
Articles 1 - 3 of 3
Full-Text Articles in Physical Sciences and Mathematics
Tools For Prescreening The Most Active Sites On Ir And Rh Clusters Toward C−H Bond Cleavage Of Ethane: Nbo Charges And Wiberg Bond Indexes, Yingbin Ge, Anna Le, Gregory J. Marquino, Phuc Q. Nguyen, Kollin Trujillo, Morgan Schimelfenig, Ashley Noble
Tools For Prescreening The Most Active Sites On Ir And Rh Clusters Toward C−H Bond Cleavage Of Ethane: Nbo Charges And Wiberg Bond Indexes, Yingbin Ge, Anna Le, Gregory J. Marquino, Phuc Q. Nguyen, Kollin Trujillo, Morgan Schimelfenig, Ashley Noble
All Faculty Scholarship for the College of the Sciences
B3LYP calculations were carried out to study the insertion of iridium (Ir) and rhodium (Rh) clusters into a C−H bond of ethane, which is often the ratelimiting step of the catalytic cycle of oxidative dehydrogenation of ethane. Our previous research on Ir catalysis correlates the diffusivity of the lowest unoccupied molecular orbital of the Ir clusters and the relative activities of the various catalytic sites. The drawback of this research is that the molecular orbital visualization is qualitative rather than quantitative. Therefore, in this study on C−H bond activation by the Ir and Rh clusters, we conducted analyses of natural …
Size And Site Dependence Of The Catalytic Activity Of Iridium Clusters Towards Ethane Dehydrogenation, Yingbin Ge, Hao Jiang, Russell Kato, Prasuna Gummagatta
Size And Site Dependence Of The Catalytic Activity Of Iridium Clusters Towards Ethane Dehydrogenation, Yingbin Ge, Hao Jiang, Russell Kato, Prasuna Gummagatta
All Faculty Scholarship for the College of the Sciences
This research focuses on optimizing transition metal nanocatalyst immobilization and activity to enhance ethane dehydrogenation. Ethane dehydrogenation, catalyzed by thermally stable Irn (n = 8, 12, 18) atomic clusters that exhibit a cuboid structure, was studied using the B3LYP method with triple-ζ basis sets. Relativistic effects and dispersion corrections were included in the calculations. In the dehydrogenation reaction Irn + C2H6 → H−Irn−C2H5 → (H)2−Irn−C2H4, the first H-elimination is the rate-limiting step, primarily because the reaction releases sufficient heat to facilitate …
Industrial Policy And Renewable Energy: Trade Conflicts, Robert J. Carbaugh, Max St. Brown
Industrial Policy And Renewable Energy: Trade Conflicts, Robert J. Carbaugh, Max St. Brown
All Faculty Scholarship for the College of Business
Governments use industrial policy to promote the development of new industries and the creation and adoption of new technologies. Such policy involves subsidies granted to producers and consumers, usually for the purpose of correcting a market failure. Concerning renewable energies such as wind energy and solar energy, China, the United States, and the European Union provide extensive support to producers and consumers. This support has resulted in trade frictions among these nations. This paper discusses the relationship between industrial policy and trade disputes in renewable energy.