• M Geetha

      Articles written in Bulletin of Materials Science

    • Structural and spectral properties of 4-phenoxyphthalonitrile dye sensitizer for solar cell applications

      P M Anbarasan K Vasudevan P Senthil Kumar A Prakasam M Geetha K Lalithambigai

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      The geometries, electronic structures, polarizabilities and hyperpolarizabilities of organic dye sensitizer 4-phenoxyphthalonitrile was studied based on ab initio HF and density functional theory (DFT) using the hybrid functional B3LYP. Ultraviolet–visible (UV–Vis) spectrum was investigated by time dependent DFT (TDDFT). Features of the electronic absorption spectrum in the visible and near-UV regions were assigned based on TD-DFT calculations. The absorption bands were assigned to 𝜋 → 𝜋* transitions. Calculated results suggest that the three excited states with the lowest excited energies in 4-phenoxyphthalonitrile was due to photo-induced electron transfer processes. The interfacial electron transfer between semiconductor TiO2 electrode and dye sensitizer 4-phenoxyphthalonitrile was due to an electron injection process from excited dye to the semiconductor’s conduction band. The role of phenoxy group in 4-phenoxyphthalonitrile in geometries, electronic structures and spectral properties were analysed.

    • Influence of thermo-mechanical processing on microstructure, mechanical properties and corrosion behavior of a new metastable 𝛽-titanium biomedical alloy

      Mohsin Talib Mohammed Zahid A Khan M Geetha Arshad N Siddiquee Prabhash Mishra

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      This paper presents the results on the influence of different thermo-mechanical processing (TMP) on themechanical properties and electrochemical behavior of newmetastable 𝛽-alloy Ti–20.6Nb–13.6Zr–0.5V (TNZV). TMP included hot working in below 𝛽-transus, solution heat treatments at same temperature in different cooling rates in addition to aging. Depending upon the TMP conditions, a wide range of microstructures with varying spatial distributions and morphologies of equiaxed/elongated 𝛼, 𝛽 phases were attained, allowing for a wide range of mechanical and electrochemical properties to be achieved. The corrosion behavior of studied alloy was evaluated in Ringer’s solution at 37°C using open-circuit potential-time and potentiodynamic polarization measurements.

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    • Dr Shanti Swarup Bhatnagar for Science and Technology

      Posted on October 12, 2020

      Prof. Subi Jacob George — Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur, Bengaluru
      Chemical Sciences 2020

      Prof. Surajit Dhara — School of Physics, University of Hyderabad, Hyderabad
      Physical Sciences 2020

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      Posted on July 25, 2019

      Click here for Editorial Note on CAP Mode

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