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Filtering by: Creator Kuriyama, Y. Academic Affiliation Chemistry

Functional transition metal oxides : structure-property relationships

Creator:

Smith, Andrew E.

Abstract:

Transition metal oxides are an important class of materials for the wide variety optical, electrical, dielectric, magnetic, and thermal properties observed. Their unique structure-property relationships allow for property tuning and often provide insight into the fundamentals of chemistry. The work in this thesis was focused on the design, synthesis and...

Resource Type:

Dissertation

Full Text:

formula such as YAl1-xMnxO3-y(CO3)y. For the high-k dielectric CaCu3-xMnxTi4-yFeyO12 and CaCu3Ti4O12
Development, validation and the application of a congener specific photodegradation model for PBDEs

Creator:

Zeng, Xia

Abstract:

The thermodynamic properties of 39 PBDEs have been calculated using Gaussian 03 on the B3LYP/6-31G(d)//B3LYP/6-31G(d) level. The PBDE congeners' enthalpies of formation increase with increasing number of bromines and show a strong dependence on the bromine substitution pattern. The effects of bromine substitution pattern have been quantitatively studied by GAM...

Resource Type:

Dissertation

Full Text:

FIGURES Figure Page 1.1. Structure of a PBDE congener, x + y = 1 to 10
High-Energy Lithium-Sulfur Batteries and Non-Metallic Ion Aqueous Batteries: Integrating Experiment and Theoretical Modeling

Creator:

Shin, Woochul

Abstract:

Humanities have been craving more freedom and conveniences in whatever form. Carriages evolved to cars and ultimately to aircraft so that one can reach any place in the globe within a day. The mobile phone has enabled people to make a phone call without a need to find a phone...

Resource Type:

Dissertation

Full Text:

applied the same integer along the x, y, and z-axis. (b) Total energy change upon various energy cutoff