Now showing items 3971-3980 of 4196
Computational Molecular Design for Developing Metal-Free Organic Emissive Materials
(2022)
Organic emissive materials have gained a great deal of attention due to their prominence in electronic displays, solid-state lighting, bio-probes for imaging, and sensor applications. Organic materials exhibiting thermally ...
Large Scale Electronic Structure Studies on the Energetics of Dislocations in Al-Mg Materials System and Its Connection to Mesoscale Models
(2019)
Computational modeling of dislocation behavior is vital for designing new lightweight metallic alloys. However, extraordinary challenges are posed by the multiscale physics ranging over a vast span of interacting length-scales ...
Reconfiguring Colloidal Solids with Defects Using Active Matter
(2019)
Engineering defect configurations within atomic crystalline materials, particularly metals, is a cornerstone of material science. Crystalline defects affect every facet of a material's properties, and in this regard, ...
First Principles Study of Magnesium/Oxygen Batteries and Glassy Solid Electrolytes
(2018)
A transition to electrified transportation would benefit from the development of batteries with energy densities beyond that of Li-ion batteries. New battery chemistries and materials are needed to realize this transition. ...
Analysis of Molecular Interaction and Its Effect on Light- Harvesting and Emitting Organic Systems at the Nanoscale
(2019)
Organic electronics is a branch of modern electronics, and it deals with organic materials, such as polymers or small molecules. Its high flexibility, ease of manufacturing, low cost and environmental impact gathered huge ...
Multidisciplinary Study of Soft Shape Morphing Systems
(2021)
Nature abounds with examples of shape morphing systems where an entity either gradually grows into a complex 3-D shape pattern or rapidly morphs into a new configuration. Inspired by the shape shifting capabilities of ...
From Small Molecules to Polymers: Linear and Nonlinear Optical Properties of Organic Conjugated Systems for Solar Applications
(2018)
The world is seeing rapid population growth and with this growth, energy demands have soared. Traditionally, fossil fuels have been used to meet these demands, but extraction of fossil fuels is detrimental to the environment, ...
Microstructure and Carrier Transport Processes in Semiconducting Polymers
(2017)
The molecular design and synthesis of semiconducting conjugated polymers was a major achievement in the field of chemistry, enabling the now viable organic electronics industry. Unlike their crystalline inorganic counterparts, ...
Exploring Interfacial Phenomena in Photovoltaic Materials Structures Using First-Principles Calculations and Beyond.
(2016)
Photovoltaics are a large part of the global strategy to reduce carbon dioxide emissions. The strict processing requirements of silicon are viewed as economic barriers to larger scale deployment of solar energy. Many of ...
Microstructure Evolution and Tensile Deformation in Mg Alloy AZ61 Through Thixomolding and Thermomechanical Processing.
(2014)
Mg alloy sheets are of considerable interest in automotive, personal electronic, and medical applications because of their low specific density. However, conventional sheet develops a strong basal texture during rolling ...