All Stories

  1. Interaction properties of explosive vapors on γ-graphyne nanosheet – a DFT outlook

    Article • Fullerenes Nanotubes and Carbon Nanostructures, July 2019, Taylor & Francis

    Professor Chandiramouli R

  2. High-pressure studies on electronic and mechanical properties of FeBO3 (B = Ti, Mn, Cr) ceramics – a first-principles study

    Article • Phase Transitions, November 2017, Taylor & Francis

    Professor Chandiramouli R

  3. DFT investigation on interaction of chlorine with In 2 O 3 nanostructures

    Article • Canadian Journal of Chemistry, November 2015, Canadian Science Publishing

    Professor Chandiramouli R

  4. Tuning band structure and electronic transport properties of ZrN nanotube – A first-principles investigation

    Article • Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy, February 2015, Elsevier

    Professor Chandiramouli R

  5. TeO2 nanostructures as a NO2 sensor: DFT investigation

    Article • Computational and Theoretical Chemistry, December 2014, Elsevier

    Professor Chandiramouli R

  6. DFT investigation on structural stability, electronic properties and CO adsorption characteristics on anatase and rutile TiO 2 nanostructures

    Article • Ceramics International, December 2014, Elsevier

    Professor Chandiramouli R

  7. Band structure engineering and transport properties of aluminium phosphide nanoribbon – A first-principles study

    Article • Superlattices and Microstructures, December 2014, Elsevier

    Professor Chandiramouli R, Dr. Rubalya Valantina Sathianathan

  8. A DFT study on ternary compounds of GaAlAs and InAlAs nanoclusters

    Article • Materials Science in Semiconductor Processing, November 2014, Elsevier

    Professor Chandiramouli R

  9. DFT Investigation of Formaldehyde Adsorption Characteristics on MgO Nanotube

    Article • Journal of Inorganic and Organometallic Polymers and Materials, October 2014, Springer Science + Business Media

    Professor Chandiramouli R

  10. Investigation on the electronic transport properties of MgS nanotube based molecular devices – a first-principles study

    Article • Molecular Physics, September 2014, Taylor & Francis

    Professor Chandiramouli R

  11. First-principles insights on tuning band structure and transport property of GaN nanotube

    Article • Structural Chemistry, August 2014, Springer Science + Business Media

    Professor Chandiramouli R

  12. First-principles studies on electronic transport properties of CdS nanoribbon based molecular device

    Article • Ceramics International, August 2014, Elsevier

    Professor Chandiramouli R

  13. NiO nanocone as a CO sensor: DFT investigation

    Article • Structural Chemistry, June 2014, Springer Science + Business Media

    Professor Chandiramouli R

  14. Investigation on the structural stability and electronic properties of InSb nanostructures – A DFT approach

    Article • Alexandria Engineering Journal, June 2014, Elsevier

    Professor Chandiramouli R

  15. First-Principles Investigation on Electronic Transport Properties of Tungsten Nitride Nanoribbon Based Molecular Device

    Article • Journal of Inorganic and Organometallic Polymers and Materials, May 2014, Springer Science + Business Media

    Professor Chandiramouli R

  16. Investigation on electronic transport property of cerium nitride nanoribbon-based molecular device: a first-principles study

    Article • Journal of Nanostructure in Chemistry, May 2014, Springer Science + Business Media

    Professor Chandiramouli R

  17. Influence of Se and Zn substitution on the electronic transport on a CdTe nanotube-based molecular device: a first-principles study

    Article • Structural Chemistry, May 2014, Springer Science + Business Media

    Professor Chandiramouli R

  18. Quantum chemical studies on the structural and electronic properties of nickel sulphide and iron sulphide nanoclusters

    Article • Journal of Nanostructure in Chemistry, February 2014, Springer Science + Business Media

    Professor Chandiramouli R

  19. FIRST-PRINCIPLES INVESTIGATION ON BAND STRUCTURE AND ELECTRONIC TRANSPORT PROPERTY OF GALLIUM NITRIDE NANORIBBON

    Article • NANO, February 2014, World Scientific Pub Co Pte Lt

    Professor Chandiramouli R

  20. First-principles investigation on transport properties of NiO monowire-based molecular device

    Article • Molecular Physics, January 2014, Taylor & Francis

    Professor Chandiramouli R

  21. Investigation on band structure and electronic transport properties of indium nitride nanoribbon – A first-principles study

    Article • Superlattices and Microstructures, January 2014, Elsevier

    Professor Chandiramouli R

  22. A DFT study on structural and electronic properties of Mn substituted CdO nanoclusters

    Article • The European Physical Journal D, January 2014, Springer Science + Business Media

    Professor Chandiramouli R

  23. Quantum chemical studies on NiO nanoclusters

    Article • The Journal of Atomic and Molecular Sciences, November 2013, Global Science Press

    Professor Chandiramouli R

  24. A study on the electronic properties of GaInPAs nanostructures: A density functional theory approach

    Article • The European Physical Journal Plus, October 2013, Springer Science + Business Media

    Professor Chandiramouli R

  25. DFT studies on the stability of linear, ring, and 3D structures in CdTe nanoclusters

    Article • Research on Chemical Intermediates, August 2013, Springer Science + Business Media

    Professor Chandiramouli R

  26. Influence of fluorine substitution on the properties of CdO nanocluster : a DFT approach

    Article • Structural Chemistry, July 2013, Springer Science + Business Media

    Professor Chandiramouli R

  27. Quantum chemical studies on (ZnO)n/(NiO)nheterostructured nanoclusters

    Article • Molecular Physics, June 2013, Taylor & Francis

    Professor Chandiramouli R

  28. A DFT study on the structural and electronic properties of ZnTe nanoclusters

    Article • The European Physical Journal Applied Physics, June 2013, EDP Sciences

    Professor Chandiramouli R

  29. ChemInform Abstract: Review of CdO thin Films

    Article • ChemInform, April 2013, Wiley

    Professor Chandiramouli R

  30. Quantum chemical studies on CdO nanoclusters stability

    Article • Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy, February 2013, Elsevier

    Professor Chandiramouli R