Sökning: "Rajeev Ahuja"
Visar resultat 21 - 25 av 38 avhandlingar innehållade orden Rajeev Ahuja.
21. Theoretical studies of a nanoparticle bridge platform for molecular electronics measurements
Sammanfattning : The main focus of this thesis is the theoretical investigations of a nanogap platform used for molecular electronics measurements under ambient conditions. The nanogap is about 20 nm wide, while the molecules investigated here (octanethiol(OT) and octanedithiol(ODT)) are about 1-1.5 nm long making it impossible to bridge the gap with one molecule. LÄS MER
22. Atomistic Modelling of Low Dimensional Materials for Energy Harvesting and Gas Sensing Applications
Sammanfattning : Energy crisis and pollution are the two biggest issues of the present times which are extremely important to address on priority. Scientists/Researchers are trying to explore and create alternate means of energy production which are sustainable and free from greenhouse emissions. LÄS MER
23. Atomic Scale Design of Clean Energy Materials : Efficient Solar Energy Conversion and Gas Sensing
Sammanfattning : The focus of this doctoral thesis is the atomic level design of photocatalysts and gas sensing materials. The band gap narrowing in the metal oxides for the visible-light driven photocatalyst as well as the interaction of water and gas molecules on the reactive surfaces of metal oxides and the electronic structure of kaolinite has been studied by the state-of-art calculations. LÄS MER
24. Density Functional Theory in Computational Materials Science
Sammanfattning : The present thesis is concerned to the application of first-principles self-consistent total-energy calculations within the density functional theory on different topics in materials science. Crystallographic phase-transitions under high-pressure has been study for TiO2, FeI2, Fe3O4, Ti, the heavy alkali metals Cs and Rb, and C3N4. LÄS MER
25. GENOME2QUNOME : Interfacing Molecules with Nanomaterials
Sammanfattning : The advent of technological furtherance in the biomedical sector and the renaissance of interdisciplinary science enable us to comprehend human lifestyle, and diseases at molecular and nanoscale levels. Lacking a shared theoretical foundation and terminological lexicon between various scientific domains might impede efforts to incorporate biological principles into nanoscience. LÄS MER