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Identity Details

Full Name

Dr Shyam Vinod Kumar P

Professional Details

Department

Physics

Designation

Assistant Professor

Qualification

M.Sc., M.Phil., PhD

Area of Expertise

Physics, Computational Physics,Computational Material Science,Computational Chemistry

Short Bio

Dr Shyam Vinod Kumar completed his B.Sc in Physics in 2009 and M.Sc in Physics in 2011 from St Xavier's College (Autonomous), affiliated with Manonmaniam Sundaranar University, Tirunelveli. He finished his MPhil in Physics in 2013 at Madras Christian College (Autonomous), affiliated with the University of Madras. He obtained his PhD in Physics-Chemistry (Interdisciplinary) in 2023 from the University of Madras, specialising in electronic structure theory-based study on organic semiconducting materials. Dr Shyam Vinod Kumar has seven years of experience in research in computational materials, with a focus on the theoretical (DFT) design of novel molecules for organic solar cells (OSC) and organic light-emitting diode (OLED) applications. Also, he is interested in understanding the non-covalent interactions that govern the behaviour of charge transport mechanisms in organic electronic materials.

Journal Publications

1. Karuppusamy, M.; Panneer, S. V. K.; Varathan, E.; Ravva, M. K.; Easwaramoorthi, S.; Subramanian. V. Design of Isoindigo-Based Small-Molecule Donors for Bulk Heterojunction Organic Solar Cell Applications in Combination with Nonfullerene Acceptors, J. Phys. Chem. A, 2024, 128, 4206-4224.

Link: https://doi.org/10.1021/acs.jpca.4c00684

 

2. Padinhattath, S. P.; Panneer, S. V. K.; Subramanian, V.; Gardas, R. L. Effective removal of personal care product residues from aqueous media using hydrophobic deep eutectic solvents: Experimental and computational approach, Microchem. J. 2024, 197, 109891.

Link: https://doi.org/10.1016/j.microc.2024.109891.

 

3. Karuppusamy, M.; Panneer, S. V. K.; Varathan, E.; Ravva, M. K.; Subramanian, V. Structure-Aromaticity-Spectroscopy Relationship in Conjugated Polymers, Theor. Chem. Acc. 2023, 142,1-18.

Link: https://doi.org/10.1007/s00214-023-02989-8.

 

4. Venkatraman, R.; Panneer, S. V. K.; Varathan, E.; Subramanian, V. Aromaticity–Photovoltaic Property Relationship of Triphenylamine-Based D-π-A Dyes: Leads from DFT Calculations, J Phys. Chem. A 2020, 124, 3374-3385.

Link: https://doi.org/10.1021/acs.jpca.9b10245.

 

 

5. Ramakrishna, J.; Karunakaran, L.; Panneer, S. V. K.; Chennamkulam, A. M.; Subramanian, V.; Dutta, S.; Venkatakrishnan, P. Conveniently Synthesized Butterfly‐Shaped Bitriphenylenes and their Application in Solution‐Processed Organic Field‐Effect Transistor Devices, Eur. J. Org. Chem. 2020, 6, 662–673.

Link: https://doi.org/10.1002/ejoc.201901470

 

 

6. Panneer, S. V. K.; Ravva, M. K.; Mishra, B. K.; Subramanian, V.; Sathyamurthy, N. Co-operativity in Non-covalent Interactions in Ternary Complexes: A Comprehensive Electronic Structure Theory based Investigation, J. Mol. Model. 2018, 24, 1-14.

Link: https://doi.org/10.1007/s00894-018-3796-3.

 

7. Kajjam, A. B.; Panneer, S. V. K.; Subramanian, V.; Vaidyanathan, S. Triphenylamine based Yellowish-Orange Light Emitting Organic Dyes (donor–π–acceptor) for Hybrid WLEDs and OLEDs: Synthesis, Characterization and Theoretical Study, Phys. Chem. Chem. Phys. 2018, 20, 4490-4501.

Link: https://doi.org/10.1039/C7CP08670A.

 

8. Sambath Kumar, B.; Panneer, S. V. K.; Deepakrao, F. S.; Iyer, S. S. K.; Subramanian, V.; Datt, R.; Gupta, V.; Chand, S.; Somanathan, N. Two Donor–One Acceptor Random Terpolymer Comprised of Diketopyrrolopyrrole Quaterthiophene with Various Donor π-Linkers for Organic Photovoltaic Application, J. Phys. Chem. C 2016, 120, 26609-26619.

Link: https://doi.org/10.1021/acs.jpcc.6b07479.

 

 

9. Panneer, S. V. K.; Raghavendra, V.; Subramanian, V. Bader’s Theory of Atoms in Molecules (AIM) and its Applications to Chemical Bonding, J. Chem. Sci. 2016, 128, 1527-1536.

Link: https://doi.org/10.1007/s12039-016-1172-3.

 

10. Panneer, S. V. K.; Varathan, E.; Vijay, D.; Subramanian, V.; Theoretical Design of Benzoselenadiazole Based Organic Donor Molecules for Solar Cell Applications, Proc. Natl. Acad. Sci. India A 2016, 86, 297-312.

Link: https://doi.org/10.1007/s40010-016-0275-z

 

11. Sambathkumar, B.; Panneer, S. V. K.; Saurav, K.; Iyer, S. S. K.; Subramanian, V.; Somanathan, N.; Structure–Properties Relationship in Diketopyrrolopyrrole based Small Molecules using Functional Terminal Side Chains via Direct Arylation: A Joint Experimental and Theoretical Study, New J. Chem. 2016, 40, 3803-3811.

Link: https://doi.org/10.1039/C6NJ00556J.


National / International Conferences

1.     DFT Study on the Polymer Donor-Fullerene Acceptor Heterojunctions at the Molecular Level, Panneer, S. V. K.; Subramanian, V., poster presented at 24th CRSI National Symposium in Chemistry (CRSI-NSC24) held at CSIR-CLRI during February 8-10, 2019. (RSC Best Poster Award).

2.     DFT Study on the Polymer Donor-Fullerene Acceptor Heterojunctions at the Molecular Level, Panneer, S. V. K.; Subramanian, V., poster presented at Asia-Pacific Conference of Theoretical and Computational Chemistry (APCTCC 8), held at IIT-Bombay, Mumbai, December 15-17, 2017.

3.     DFT Study on the Polymer Donor-Fullerene Acceptor Heterojunctions at the Molecular Level, Panneer, S. V. K.; Subramanian, V., poster presented 5th Modeling of Chemical and Biological (Re) Activity (MCBR-5) held at CSIR-CLRI during 18-21 February 2017. Poster Presentation.

4.     Design of A-π-D-π-A Donors for Organic Solar Cells using Density Functional Approach Panneer, S. V. K.; Sundar, V. J.; Subramanian, V., Poster Presented at the National seminar on “Emerging Trends in Chemistry” organized on behalf of CRSI local chapter Madurai-Trichy held at Madurai Kamaraj University, Madurai, February 18-20, 2016.

5.     Design of A-π-D-π-A Donors for Organic Solar Cells using Density Functional Approach Panneer, S. V. K.; Sundar, V. J.; Subramanian, V. Poster Presented at the conference Frontiers in Electronic Structure Theory (FEST-2015), Goa, May 26-28, 2015.

6.     Design of organic deep blue emitters with enhanced electron transporting properties, Panneer, S. V. K.; Vijay, D.; Subramanian, V., poster presented at the  2nd TAPSUN Conference on “Advance in Futuristic Solar Energy Materials & Technologies” held at CSIR-CLRI, Chennai, September, 13-14, 2013.

7.     Computational Design of Organic Containing Polythiophene Unit for Solar Cell Materials, Panneer, S. V. K.; Varathan, E.; Vijay, D.; Subramanian, V., Chennai Chemistry Conference (CCC), February 8-10, 2013, held at CSIR-CLRI.

8.     Computational Design of Organic Molecules for Organic Photovoltaics Applications Panneer, S. V. K.; Vijay, D.; Varathan, E.; Subramanian, V. poster presented at 1st TAPSUN Conference on “Advances in futuristic Solar Energy Materials and Technologies” December 4-5, 2012, held at CSIR-National Physical Laboratory, New Delhi.

Books / Book Chapter Published

1. Panneer, S. V. K.; Karuppusamy, M.; Balamurugan, K.; Mudedla, S. K.; Ravva, M. K.; Subramanian, V. Molecular Electron Density and Electrostatic Potential and Their Applications, Chapter 20, Electron Density: Concepts, Computation and DFT Applications, John Wiley & Sons Ltd, 2024, 379-400.

Link: https://doi.org/10.1002/9781394217656.ch20.

 

2. Ravva, M. K.; Pawar, R.; Panneer, S. V. K.; Kumar, C. V. S.; Subramanian, V. Effect of Both Structural and Electronic Confinements on Interaction, Chemical Reactivity and Properties, Chapter 15, Chemical Reactivity in Confined Systems: Theory, Modelling and Applications, John Wiley & Sons Ltd, 2021, 263-272.

Link: https://doi.org/10.1002/9781119683353.ch15.