Search for dissertations about: "Sudip Chakraborty"

Found 5 swedish dissertations containing the words Sudip Chakraborty.

  2. 1. Materials Modelling for Energy Harvesting : From Conversion to Application through Storage

    Author : Amitava Banerjee; Rajeev Ahuja; Gunnar Niklasson; Sudip Chakraborty; Tejs Vegge; Uppsala universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Materials Modelling; DFT; Energy Materials; Photocatalysis; HER and OER; Hybrid Perovskite Solar Cells; Stability; Thermodynamics and Kinetics in Na-ion battery; Organic Crystal Battery;

    Abstract : In this Ph.D. thesis, ab initio density functional theory along with molecular dynamics and global optimization methods are used to unveil and understand the structures and properties of energy relevant materials. In this connection, the following applications are considered: i. READ MORE

  4. 2. Treatment of arsenic contaminated drinking water from the sources around the gold mining areas of Geita and Mara, Tanzania : Removal efficiency of locally available materials, bauxite, gypsum and magnesite

    Author : Regina Filemon Irunde; Prosun Bhattacharya; Felix Mtalo; Sudip Chakraborty; KTH; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Arsenic; bauxite; gypsum; magnesite; natural water; removal; Visual MINTEQ; kinetic reaction; isotherms; Freundlich; Langmuir; Arseniki; bauxite; gypsum; magnesite; maji ya asili; kuondolewa; Visual MINTEQ; misuguano ya kinetic; isotherm; Freundlich; Langmuir; Arsenik; bauxit; gips; magnesit; naturligt vatten; rening; Visual MINTEQ; kinetisk reaktion; isotermer; Freundlich; Langmuir; Mark- och vattenteknik; Land and Water Resources Engineering;

    Abstract : In recent years, high arsenic (As) levels of about 300 µg/L have been reported around the gold mining areas of Geita and Mara regions within the Lake Victoria basin (LVB) in Tanzania. During a sampling campaign at Geita and Mara, the groundwater and surface water samples revealed the presence of high As concentrations as well as Fe and sulfide. READ MORE

  5. 3. Computational Studies of 2D Materials : Application to Energy Storage and Electron Transport in Nanoscale Devices

    Author : Vivekanand Shukla; Rajeev Ahuja; Anton Grigoriev; Sudip Chakraborty; Kristian Sommer Thygesen; Uppsala universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Density functional theory; Non-equilibrium Green s function; 2D materials; Energy storage; Electron transport;

    Abstract : The field of two-dimensional (2D) layered materials provides a new platform for studying diverse physical phenomena that are scientifically interesting and relevant for technological applications. Novel applications in electronics and energy storage harness the unique electronic, optical, and mechanical properties of 2D materials for design of crucial components. READ MORE

  6. 4. Defect Thermodynamics and Kinetics in Polyanionic Cathodes : A Theoretical Roadmap for Na-ion based Batteries and Hybrid Supercapacitors

    Author : Teeraphat Watcharatharapong; Rajeev Ahuja; Sudip Chakraborty; Jan Isberg; Palani Balaya; Uppsala universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; DFT; Energy Materials; Defects; Chemical potentials; Kinetics; Hybrid supercapacitors; Na-ion batteries; Polyanionic cathodes;

    Abstract : In this thesis, the framework of the density functional theory is employed to study and predict properties of polyanionic cathodes for Na-ion batteries and hybrid supercapacitors. It consists of three main parts as follows:The first part is primarily dedicated to kröhnkite-type Na2Fe(SO4)22H2O cathode. READ MORE

  7. 5. Water Splitting Mechanism on 2D Catalytic Materials : DFT based Theoretical Investigations

    Author : John Wärnå; Rajeev Ahuja; Sudip Chakraborty; Anton Grigoriev; Henrik Ottosson; Naurang Saini; Uppsala universitet; []
    Keywords : Physics and Astronomy specializing in Theoretical Physics; Fysik och astronomi med inriktning mot teoretisk fysik; Physics with spec. in Atomic; Molecular and Condensed Matter Physics; Fysik med inriktning mot atom- molekyl- och kondenserande materiens fysik;

    Abstract : In this thesis, we have envisaged systematic investigation to predict the water splitting mechanism on ultra-thin two-dimensional (2D) materials using cutting edge computation. Three different families of materials are considered as the case studies - i.MX2 (where M= W and Pt) based transition metal dichalcogenides, ii. READ MORE