Mohammad Nouri
My name is Mohammad. I completed my first master at Isfahan University of Technology (IUT). There I got my head around Density Functional Theory and worked on the project titled “finding stable structures of silicon nano-clusters”. I was using FHI-aims, Quantum Espresso, USPEX, and DFTB+ codes in the search of finding structure motifs of the small- to medium-sized Si nano-clusters and their growth pattern. After my graduation, I came upon an intriguing position in professor Pavanello’s group at Rutgers University (RU) where I started a two-year journey towards quenching an old thirst for computational science and solid-state physics. At RU, I took complimentary physics courses and was solely working on the desired surface morphology of WO3 nano-sheets as a favorable catalyst in industry. I applied different phosphorous doping, oxygen vacancies, surface adsorptions and terminations to investigate the changes in work function, charge transfer, DOS/PDOS among many other properties. All of these research experiences led me to professor Alexandrov’s group at University of Nebraska-Lincoln (UNL). Here, I am working on the cationic and anionic redox in lithium-ion based batteries. We are trying to find the best elemental composition of Li-rich transition metal oxide cathodes in terms of structure stability and price which is able to maintain a reasonable energy density/capacity in modern industry applications.