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    Overcoming Challenges Associated with Hydrogen Storage Efficiency and Fuel Cell Catalysis : An Ab Initio Study 

    Ahmad, Rafia
    Fuel cells offer the best solution to the imminent energy and environmental crisis staring at our face, urging the scientific community to overcome all the challenges faced by its effective commercialization. These harness ...

    Ab-initio Modeling and Designing of Materials for Thermoelectrics, Optoelectronics and High Temperature Applications 

    Samanta, Atanu
    Designing a material for a particular application requires an atomistic understanding of its properties. Recent development in first principles methods and supercomputing speeds has enabled researchers to compute materials ...

    Tuning Electronic Properties of Low Dimensional Materials 

    Bhattacharyya, Swastibrata (2017-11-22)
    Discovery of grapheme has paved way for experimental realization of many physical phenomena such as massless Dirac fermions, quantum hall effect and zero-field conductivity. Search for other two dimensional (2D) materials ...

    Investigation of Structural and Electronic Aspects of Ultrathin Metal Nanowires 

    Roy, Ahin (2018-02-11)
    The constant trend of device miniaturization along with ever-growing list of unusual behaviour of nanoscale materials has fuelled the recent research in fabrication and applications of ultrathin (~2 nm diameter) nanowires. ...

    Experimental And Theoretical Studies Of Strongly Correlated Multiferroic Oxides 

    Ghosh, Anirban (2011-05-23)
    This thesis presents the synthesis and investigations of physical and chemical properties of multiferroic materials experimentally as well as theoretically. Multiferroics are materials in which at least two of the three ...

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    AuthorAhmad, Rafia (1)Bhattacharyya, Swastibrata (1)Ghosh, Anirban (1)Roy, Ahin (1)Samanta, Atanu (1)Subject
    Density Functional Theory (5)
    Materials Science (5)
    Graphene (2)2D Materials (1)Boron Nitride Nanoribbons (1)Carbon Nanotubes (1)CO Oxidation (1)CO Oxidation Catalysis (1)d-band Theory (1)DFT Simulation (1)... View MoreDate Issued2011 (1)2017 (1)2018 (1)Has File(s)Yes (5)

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