Materials Research Centre (MRC)
Recent Submissions
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Engineering Chemical Environments for Efficient Thermoelectric and Heat Transport Materials using First-principles Calculation
To optimize the management of heat generated in various industrial processes, it is imperative to utilize materials that can proficiently transport heat energy and convert it into valuable electrical power. Conversion of ... -
3D printing for biomedical applications: Hybrid nanoparticle reinforced hydrogels for soft tissue regeneration and bone flaps for cranial reconstruction
This dissertation focuses on the quantitative insights into process v science behind the development of tissue-engineered grafts using additive manufacturing (AM) technology. Additive manufacturing, commonly referred to ... -
Understanding The Science of Biocompatibility of Dental Implants: Biomechanical, Pre-Clinical and Clinical Validation of New Design Concepts
Dental implants, a prominent field of research, have evolved from prehistoric times to the present. Despite this long history, many aspects still require improvement, particularly in understanding primary stability and ... -
Designing Metallo-Supramolecular Assemblies for Biomimetic Catalysis and Environmental Sustainability
Molecular self-assembly is ubiquitous in nature and plays a vital role in the emergence and maintenance of life. For example, DNA strands self-assemble into a double helix that stores genetic information. Likewise, ... -
Alluaudite Battery Chemistry: Design and Exploration
Being one of the most promising technologies in human history, lithium-ion batteries (LIBs) have empowered our lives since their commercialization in 1991 by SONY®. However, all these applications need massive production ... -
Synergistic Exploration of Oxide Cathode Materials for Potassium-ion Batteries
Since their inception by Sony® in 1991, Li-ion batteries have become dominant in various energy storage applications. However, the ever-growing energy demand coupled with sparsely distributed lithium resources provide ... -
Phosphate-based Mixed Polyanionic Positive Insertion Materials for Energy Storage Applications
Mixed polyanionic insertion materials offer a rich treasure house to develop robust cathode insertion materials having a desirable combination of chemical and thermal stability, as well as tuneable redox voltage and ... -
Insights into Structure-Property Relationships via First Principles and Machine Learning Approaches
The increasing concerns about a sustainable future demand accelerated design and development of new materials with enhanced properties. The process of material development immensely depends on the structure-to-property ... -
Mechanistic Insights into the Chemical and Electronic Doping for Advanced Optoelectronic, Catalytic, and Quantum Applications
Doping via the incorporation of ionizable entities within solid-state materials represents a promising strategy for the generation of mobile or localized charge carriers. Conventionally, doping has been perceived as an ... -
Investigation of machine learning and deep learning methodologies for applications in biomechanics, additive manufacturing, and microstructure fingerprinting: A Biomaterialomics approach
Traditional approaches to developing biomaterials and implants require intuitive tuning of process variables, long innovation cycle, and high costs. Accelerating the production of personalized, implantable biomaterials and ... -
Expanding the Possibilities of Multifunctional Gelatin Methacrylol Bioinks for 3D Bioprinting of Complex Biomimetic Tissue Constructs
Tissue engineering, or the construction of complex tissue-like structures for injured tissue replacement and regeneration, has been a subject of investigation over the last thirty years. In the last decade, there has been ... -
Machine learning and density functional theory assisted insights into the mechanical and oxidation properties of nickel-based superalloys
Due to global warming and increasing fuel costs, there is a constant thrust toward increasing fuel efficiency and reducing the emissions of gas-turbine engines, which are made out of superalloys. New superalloy materials, ... -
Electron Microscopy Investigations of Surface-modulated Nanomaterials for Electrocatalytic Applications
With advancement and increasing usage of technologies, the demand for energy is also growing. However, the limited and ever-depleting stock of natural gas and fossil fuels has necessitated for better solutions in energy ... -
Two-dimensional layered materials integrated with oxide semiconductor-based hybrid devices for broadband photodetector applications
Photodetectors find their applications in several arenas such as that of bio-integrated electronics, health monitoring, high-definition imaging, remote controls, spectroscopy, and others. Therefore, photodetectors play an ... -
Computational Modeling of two Dimensional Heterostructures for Optoelectronic and Catalytic Applications
Two-dimensional van der Waals (2D-vdW) materials have attracted significant attention for their unique and excellent properties. The properties of the 2D-vdW materials can be precisely engineered using various techniques ... -
Accelerated Search of Catalysts Using Density Functional Theory and Machine Learning
The need for clean and renewable energy resources has propelled the interest in designing new catalysts producing energy from renewable resources and alternate cleaner fuels such as hydrogen, methane, ammonia, ethylene, ... -
Electron Microscopy Investigations on Solution Grown Stannous Oxide Nanosheets
In this thesis, motivated by the possibility of studying rich scientific phenomena using morphology controlled single crystals, experimental observation of new features in the growth and structure of layered oxide materials ... -
Structural and Electrochemical Investigation of Bisulfate and Hydroxysulfate based Polyanionic Cathodes
The discovery of LiFePO4 cathode for Li-ion battery ushered intensive study on polyanionic high-voltage battery insertion materials. Polyanionic materials offer rich crystal chemistry, robust framework, voltage tunability, ... -
Electrochemical Behavior of Mn-based Oxide Cathode Materials for Alkali-ion Batteries: Study of Cationic and Anionic Redox Reactions
Better batteries are being developed in response to the growing demand for clean energy in order to replace conventional fossil fuels with renewable energy for affordable and long-term energy storage. Lithium-ion ... -
Microwave-Assisted Synthesis of Vanadium Oxide and Their Applications
Microwave-assisted synthesis has been extensively used to producemetal oxide, hydroxide and sulfides with unique nanostructures.In the present study, a novel, rapid and green microwave-assisted method has been developed ...
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