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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 …
Carving Plasmon Modes In Silver Sierpiński Fractals, Isobel C. Bicket, Edson P. Bellido, Danielle M. Mcrae, Francois Lagugne-Labarthet, Gianluigi A. Botton
Carving Plasmon Modes In Silver Sierpiński Fractals, Isobel C. Bicket, Edson P. Bellido, Danielle M. Mcrae, Francois Lagugne-Labarthet, Gianluigi A. Botton
Chemistry Publications
The surface plasmon resonance (SPR) modes of the first three generations of a Sierpiński fractal triangle are investigated using electron energy loss spectroscopy (EELS) complemented with finite difference time domain simulations. The Sierpiński fractal geometry is created in a subtractive manner, by carving triangular apertures into the triangular prism of the previous fractal generation. The ability of the fractal antenna to efficiently utilize space in coupling to long wavelength excitations is confirmed on the single nanostructure level via redshifting of the primary dipole mode as the fractal generation is increased. Through application of the Babinet principle, it is demonstrated that …
Our Energy Future, Fall/Winter 2007, Issue 15
Unconventional Energy, Fall/Winter 2015, Issue 31
Unconventional Energy, Fall/Winter 2015, Issue 31
Sustain Magazine
No abstract provided.
Effects Of Disorder On Thermoelectric Properties Of Semiconducting Polymers, Zlatan Aksamija, Dhandapani Venkataraman, Connor J. Boyle, Meenakshi Upadhyaya
Effects Of Disorder On Thermoelectric Properties Of Semiconducting Polymers, Zlatan Aksamija, Dhandapani Venkataraman, Connor J. Boyle, Meenakshi Upadhyaya
Zlatan Aksamija
Metal-Organic Frameworks: Photophysics, Energy Transfer, And Electronic Structure, Ekaterina A. Dolgopolova
Metal-Organic Frameworks: Photophysics, Energy Transfer, And Electronic Structure, Ekaterina A. Dolgopolova
Theses and Dissertations
The current landscape of technological and industrial related fields is looking for novel materials with enhanced performances, which will not only improve various fields in science, but also can ensure increased environmental safety. Recently, metal-organic frameworks (MOFs) have been shown as a promising type of material for a wide range of applications including gas storage and separation, sensing, and heterogeneous catalysis. The main advantages of MOFs rely on their modular structures as well as their porosity. For instance, the modular nature of MOFs provides a control over chromophore arrangement, systematic tuning of ligand design and synthetic conditions allowing one to …