Search for dissertations about: "Rajeev Ahuja"

Showing result 21 - 25 of 38 swedish dissertations containing the words Rajeev Ahuja.

  2. 21. Theoretical studies of a nanoparticle bridge platform for molecular electronics measurements

    Author : Henrik Löfås; Rajeev Ahuja; Jan Isberg; Anton Grigoriev; Gemma Solomon; Uppsala universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Physics with spec. in Atomic; Molecular and Condensed Matter Physics; Fysik med inriktning mot atom- molekyl- och kondenserande materiens fysik;

    Abstract : 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. READ MORE

  4. 22. Atomistic Modelling of Low Dimensional Materials for Energy Harvesting and Gas Sensing Applications

    Author : S. Rabab Naqvi; Rajeev Ahuja; Abir De Sarkar; Uppsala universitet; []
    Keywords : Density functional theory; Low dimensional materials; Energy harvesting; Hydrogen storage; Gas Sensing; Physics with spec. in Atomic; Molecular and Condensed Matter Physics; Fysik med inriktning mot atom- molekyl- och kondenserande materiens fysik;

    Abstract : 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. READ MORE

  5. 23. Atomic Scale Design of Clean Energy Materials : Efficient Solar Energy Conversion and Gas Sensing

    Author : Jawad Nisar; Rajeev Ahuja; Puru Jena; Uppsala universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; Photocatalysts; Band gap narrowing; Water dissociation; Density functional theory; Gas sensing; Kaolinite; Physics with spec. in Atomic; Molecular and Condensed Matter Physics; Fysik med inriktning mot atom- molekyl- och kondenserande materiens fysik;

    Abstract : 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. READ MORE

  6. 24. Density Functional Theory in Computational Materials Science

    Author : Jorge Mario Osorio Guillén; Rajeev Ahuja; Börje Johansson; Bruce N. Harmon; Uppsala universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Physics; Density Functional Theory; High Pressure; Phase Transitions; Elastic Properties; Lithium Batteries; Dilute Magnetic Semiconductors; Fysik; Physics; Fysik;

    Abstract : 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. READ MORE

  7. 25. GENOME2QUNOME : Interfacing Molecules with Nanomaterials

    Author : Pritam Kumar Panda; Rajeev Ahuja; Yogendra Kumar Mishra; Helder Almeida Santos; Uppsala universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Electronic transport; Contact electrification; Nanomaterials; Zinc Oxide; Tetrapods; 2D-materials; Density functional theory; Non-equilibrium Green s function; Molecular docking; Molecular dynamics simulation; Materialvetenskap; Materials Science; Theoretical Physics; Teoretisk fysik; Physics with specialization in Biophysics; Fysik med inriktning mot biofysik;

    Abstract : 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. READ MORE