Mechanical Engineering Commons^™

Development Of Novel Battery Materials For Lithium-Ion Batteries And Beyond, Jiyu Cai

Graduate Theses and Dissertations

As fossil fuels are depleting and causing environmental issues, it becomes imperative to widely implement renewable energies (e.g., solar and wind power). In this context, electrical energy storage (EES) systems are essential to accommodate the intermittent supply and uneven distribution of renewable energies. To this end, high-energy-density EES devices are highly demanded, such as rechargeable batteries. This dissertation presents my efforts in developing novel battery materials for lithium-ion batteries (LIBs), sodium-ion batteries (SIBs), and solidstate lithium batteries (SSLBs). These efforts include electrochemical evaluations of battery materials, surface modifications of electrodes via atomic layer deposition (ALD), and advanced characterizations of batteries …

First-Principles Studies Of Nucleation Of Atomic-Layered Molybdenum Disulfide By Atomic Layer Deposition, Matthew Lawson

Boise State University Theses and Dissertations

This dissertation implements first-principles calculations to understand the nucleation mechanisms for atomic layer deposition (ALD) of molybdenum disulfide (MoS₂) using MoF₆ and H₂S precursors. ALD is a self-limiting process that can deposit a range of materials at the nanoscale, while maintaining chemical stoichiometry, atomic scale thickness control, and can conform to high-aspect ratio substrate designs. ALD is extremely sensitive to surface chemistry and morphology; therefore, it is critical to understand how these factors control deposition.

Density functional theory (DFT) was used to understand what factors can control the nucleation for ALD of MoS₂ using …