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  • Dahule, Rohit; Singh, Chetan C.; Hongo, Kenta; Maezono, Ryo; Panda, Emila (Royal Society of Chemistry, 2022-02)
    SnS is a promising photovoltaic absorber material because of its low cost and lower toxicity and is usually present in a heterostructure. Understanding the bulk and the surface electrical properties would help in the ...
  • Hanindriyo, Adie Tri; Yadav, Amit Kumar Singh; Ichibha, Tom; Maezono, Ryo; Nakano, Kousuke; Hongo, Kenta (Royal Society of Chemistry, 2022-01)
    The disiloxane molecule is a prime example of silicate compounds containing the Si-O-Si bridge. The molecule is of significant interest within the field of quantum chemistry, owing to the difficulty in theoretically ...
  • Hanindriyo, Adie Tri; Yadav, Amit Kumar Singh; Ichibha, Tom; Maezono, Ryo; Nakano, Kousuke; Hongo, Kenta (Cornell University Library, 2020-10)
    The disiloxane molecule is a prime example of silicate compounds containing the Si-O-Si bridge, which is of great interest within the field of quantum chemistry, due to the difficulty in theoretically predicting its ...
  • Raghav, Abhishek; Hongo, Kenta; Maezono, Ryo; Panda, Emila (Cornell University Library, 2022-05)
    In this work, electronic structure of several doped TiO2 anatase systems is computed using DFT+U. Effective masses of charge carriers are also computed to quantify how the dopant atoms perturb the bands of the host anatase ...
  • Ghaffar, Abdul; Ganeriwala, Mohit D.; Hongo, Kenta; Maezono, Ryo; Mohapatra, Nihar Ranjan (American Chemical Society, 2021-03)
    Finding a metal contact with higher interface adhesion and lower contact resistivity is a major challenge in realizing 2D material-based field-effect transistors. The commonly used metals in the semiconductor industry have ...
  • Dahule, Rohit; Raghav, Abhishek; Hanindriyo, Adie Tri; Hongo, Kenta; Maezono, Ryo; Panda, Emila (Wiley, 2021-04)
    Here, the electronic structure of monoclinic Cu2SnS3 (CTS) along with the surface energy and surface electronic structure of (200) and ( 1⎯⎯ 31) terminated surfaces are computed using density functional theory (DFT). ...

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