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Full-Text Articles in Physics

Understanding Electrical Conduction In Lithium Ion Batteries Through Multi-Scale Modeling, Jie Pan Jan 2016

Understanding Electrical Conduction In Lithium Ion Batteries Through Multi-Scale Modeling, Jie Pan

Theses and Dissertations--Chemical and Materials Engineering

Silicon (Si) has been considered as a promising negative electrode material for lithium ion batteries (LIBs) because of its high theoretical capacity, low discharge voltage, and low cost. However, the utilization of Si electrode has been hampered by problems such as slow ionic transport, large stress/strain generation, and unstable solid electrolyte interphase (SEI). These problems severely influence the performance and cycle life of Si electrodes. In general, ionic conduction determines the rate performance of the electrode, while electron leakage through the SEI causes electrolyte decomposition and, thus, causes capacity loss. The goal of this thesis research is to design ...


From Initial To Late Stages Of Epitaxial Thin Film Growth: Stm Analysis And Atomistic Or Coarsegrained Modeling, James W. Evans, Yong Han, Barış Ünal, Maozhi Li, K. J. Caspersen, Dapeng Jing, Anthony R. Layson, C. R. Stoldt, T. Duguet, Patricia A. Thiel Aug 2010

From Initial To Late Stages Of Epitaxial Thin Film Growth: Stm Analysis And Atomistic Or Coarsegrained Modeling, James W. Evans, Yong Han, Barış Ünal, Maozhi Li, K. J. Caspersen, Dapeng Jing, Anthony R. Layson, C. R. Stoldt, T. Duguet, Patricia A. Thiel

Chemistry Conference Papers, Posters and Presentations

Epitaxial thin film growth by vapor deposition or molecular beam epitaxy under ultra‐high vacuum conditions generally occurs in two stages: (i) nucleation and growth of well‐separated islands on the substrate; (ii) subsequent formation of a thicker continuous film with possible kinetic roughening. For homoepitaxial growth, two‐dimensional (2D) monolayer islands are formed during submonolayer deposition. Typically, the presence of a step‐edge barrier inhibits downward transport and leads to the formation of mounds (multilayer stacks of 2D islands) during multilayer growth. For heteroepitaxial growth, islands formed in the initial stages of deposition sometimes have a 2D monolayer structure ...


Low-Temperature Adsorption Of H2s On Ag(111), Selena M. Russell, Da-Jiang Liu, Maki Kawai, Yousoo Kim, Patricia A. Thiel Jan 2010

Low-Temperature Adsorption Of H2s On Ag(111), Selena M. Russell, Da-Jiang Liu, Maki Kawai, Yousoo Kim, Patricia A. Thiel

Chemistry Publications

H2S forms a rich variety of structures on Ag(111) at low temperature and submonolayer coverage. The molecules decorate step edges, exist as isolated entities on terraces, and aggregate into clusters and islands, under various conditions. One type of island exhibits a (×)R25.3° unit cell. Typically, molecules in the clusters and islands are separated by about 0.4 nm, the same as the S–S separation in crystalline H2S. Density functional theory indicates that hydrogen-bonded clusters contain two types of molecules. One is very similar to an isolated adsorbed H2S molecule, with both ...