Amorphous oxide semiconductor (AOS) thin film transistors (TFTs) based on In2O3 have attracted much interest for use as pixel switching elements in next generation active-matrix …
Calculations of thermodynamic and mechanical properties of defected or non-crystalline bulk structure simulations benefit from the level of accuracy permitted by density functional theory (DFT) …
Energy storage is a crucial aspect of integrating renewable energy sources in power grids, portable electronic devices and vehicle applications, making the development of efficient …
Perovskite Solar Cells (PSCs) based on hybrid organic-inorganic halide perovskites (OIHPs) have been under the spotlight due to the unprecedented promise of a low-cost and …
The Solid Electrolyte Interphase (SEI) forms in most Li-ion batteries, but properties such as its formation mechanism are a mystery. The goal of this dissertation …
Lithium-rich transition metal oxides (LR-NMC) are attractive cathode materials for lithium-ion batteries due to their high capacity. Their structural instability during cycling remains one of …