FACULTY PROFILE

Ph D 2018 CSIR-Central Electrochemical Research Institute
M Sc 2011 School of Physics, Madurai Kamaraj University
B Sc 2009 V.H.N.S.N College, Madurai Kamaraj University

 

September 2020 – Till date DST Inspire Faculty, Rajiv Gandhi Institute of Petroleum Technology, Jais, Amethi
May 2018 – July 2020 Post Doctoral Fellow, Department of Applied Physics, Aalto University, Finland

 

I use density functional theory calculations to understand the following:

  • Growth of 1D and 2D Nanostructures from Atomic Clusters.
  • Electronic and Magnetic Structure of Cluster, Nanowires, and Nanosheets.
  • Electrochemical Properties of Nanomaterials for energy storage and energy conversion applications.
  • DST Project

Title: High Throughput Density Functional Calculations to Develop Electrochemically Active Cluster Compounds for Multifarious Applications.

Grant No. DST/INSPIRE/04/2019/000283; dated. 20-04-2020

Institute: Department of Basic Science and Humanities, Rajiv Gandhi Institute of Petroleum Technology, Jais, Amethi   

INR. 35,00,000/-

Journal:

  1. J. Karthikeyan, H. P. Komsa, M. Batzill, A. V. Krasheninnikov, Which transition metal atoms can be embedded into two-dimensional molybdenum dichalcogenides and add magnetism?, Nano Letters 19 (7), 4581-4587, (2019).
  2. P. M. Coelho, H. P. Komsa, K. Lasek, V. Kalappattil, J. Karthikeyan, M. H. Phan, A. V. Krasheninnikov, M. Batzill, Room-Temperature Ferromagnetism in MoTe2 by Post-Growth Incorporation of Vanadium Impurities, Advanced Electronic Materials, 1900044, 1-6, (2019).
  3. K. O. Ogunniran, G. Murugadoss, R. Thangamuthu, J. Karthikeyan, P. Murugan, Integration of phenylammoniumiodide (PAI) as a surface coating molecule towards ambient stable MAPbI3 perovskite for solar cell application, Solar Energy Materials and Solar Cells, 191, 316-328, (2019).
  4. T. K. Bijoy, J. Karthikeyan, P. Murugan, Computational Approach To Reveal the Structural Stability and Electronic Properties of Lithiated M/CNT (M= Si, Ge) Nanocomposites as Anodes for Lithium-Ion Batteries, ACS Omega 4 (2), 4153-4160, (2019).
  5. P. Senthilkumar, S. Dhanuskodi, J. Karthikeyan, P Murugan, dz2 orbital-mediated bound magnetic polarons in ferromagnetic Ce-doped BaTiO3 nanoparticles and their enriched two-photon absorption cross-section, Physical Chemistry Chemical Physics 21 (7), 4032-4045, (2019).
  6. J. Karthikeyan, Y. S. Ranawat, P. Murugan, Vijay Kumar, Borophene Layers on Al(111) Surface –The Finding of a Borophene Layer with hexagonal Double Chain and B9 Nonagons from Ab initio Calculations, Nanoscale, 10, 17198-17205, (2018).
  7. S. Sekar, J. G. Muller, J. Karthikeyan, P. Murugan, N. Lakshminarasimhan, Unveiling the multifunctional roles of hitherto known capping ligand oleic acid as blue emitter and sensitizer in tuning the emission colour to white in red-emitting phosphors, Physical Chemistry Chemical Physics 20 (28), 19087-19097, (2018).
  8. T. K. Bijoy, J. Karthikeyan, P. Murugan, Exploring the mechanism of spontaneous and lithium-assisted graphitic phase formation in SiC nanocrystallites of a high capacity Li-ion battery anode, The Journal of Physical Chemistry C 121 (28), 15106-15113, (2018).
  9. S. M. Senthil Kumar, K. Selvakumar, J. Karthikeyan, R. Thangamuthu, P. Murugan, P. Rajput, S. N. Jha, D. Bhattacharyya and N. Navascues, Manifestation of Concealed Defects in MoS2 Nanospheres for Efficient and Durable Electrocatalytic Hydrogen Evolution Reaction, Chemistry Select, 2, 4667-4672, (2017).
  10. T. K. Bijoy, J. Karthikeyan and P. Murugan, Exploring the Mechanism of Spontaneous and Lithium-Assisted Graphitic Phase Formation in SiC Nanocrystallites of a High Capacity Li-Ion Battery Anode, Journal of Physical Chemistry C, 121, 15106–15113, (2017).
  11. Iflah Laraib$, J. Karthikeyan$, P. Murugan, First Principles Modeling of Mo6S9 Nanowire via Condensation of Mo4S6 Clusters and Effect of Iodine Doping on Structural and Electronic Properties. Physical Chemistry Chemical Physics, 18, 5471-5476, (2016). [$ Equal Contribution]
  12. P. Kannan, J. Karthikeyan, P. Murugan, T. S. Rao and N Rajendran, Corrosion inhibition effect of novel methyl benzimidazolium ionic liquid for carbon steel in HCl medium, Journal of Molecular Liquids 221, 368-380, (2016).
  13. J. Karthikeyan, V. Kumar, P. Murugan, The Role of Valence Electron Concentration in Tuning the Structure, Stability, and Electronic Properties of Mo6S9-xIx Nanowires, The Journal of Physical Chemistry C, 119, 13979−13985, (2015).
  14. S. Gouse Peera, A.K. Sahu, A. Arunchander, S.D. Bhat, J. Karthikeyan, P. Murugan, Nitrogen and fluorine co-doped graphite nanofibers as high durable oxygen reduction catalyst in acidic media for polymer electrolyte fuel cells, Carbon, 93, 30 – 42, (2015).
  15. T. K. Bijoy, J. Karthikeyan, P. Murugan, Structural Stability and Bonding Nature of Li–Sn– Carbon Nanocomposites as Li-ion battery Anodes: First Principles Approach, RSC Advances, 5, 123-129, (2015).
  16. J.G. Muller, J. Karthikeyan, P. Murugan, N. Lakshminarasimhan, Influence of Structural Polymorphs on Tunable White Light Generation from Orange-Red-Emitting BiPO4:Eu3+ Phosphor by Surface Modification, The Journal of Physical Chemistry C, 118, 19308-19314, (2014).
  17. J. Karthikeyan, V. Kumar, P. Murugan, Atomic Structure and Edge Magnetism in MoS2+x Parallelogram Shaped Platelets, Physical Chemistry Chemical Physics, 15, 13077-13082, (2013).

Conference Proceedings:

S.No.

Title of the Conference/Workshop

Organized Institute

Year

Contribution

1.

International Conference on Advanced Materials (ICAM-2011)

PSG College of Arts and Science, Coimbatore.

12/12/2011 to 16/12/2011

Poster Presentation

2.

Introduction to Gaussian: Theory and Practice

CSIR-Central Leather Research Institute, Chennai

02/01/2012 to 06/01/2012

Participation

3.

ACCMS – Theme meeting on “2D Nanostructures: Graphene and Beyond”

Materials Research Centre, Indian Institute of Science, Bangalore.

29/07/2012 to 30/07/2012

Participated

4.

RSC India Road Show

Indian Institute of Science, Bangalore.

07/02/2013

Poster Presentation

5.

Workshop on “Advances in Computational Physics”

Department of Physics, Central University of Tamil Nadu, Thiruvarur, Tamil Nadu.

14/02/2013 to 16/02/2013

Poster Presentation

6.

First National Conference on “Mapping the Materials Genome”

Centre for informatics and School of Natural Sciences, Shiv Nadar University, Uttar Pradesh.

08/03/2013 to 10/03/2013

Participation

7.

International Union of Materials Research Societies - ICA - 2013

Indian Institute of Science, Bangalore

16/12/2013 to 20/12/2013

Best poster award

8.

Workshop on Computational Nanoscience

Centre for informatics and School of Natural Sciences, Shiv Nadar University, Uttar Pradesh.

30/03/2014 to 05/04/2014

Participation

9.

RSC-India Road Show

Indian Institute of Technology, Chennai

10/11/2014

Participation

10

Winter School on “Frontier in Materials Science”

Jawaharlal Nehru Centre for Advanced Scientific Research, Bangalore

01/12/2014 to 05/12/2014

Best Poster Award

11

Current Trends in Condensed Matter Physics – CTCMP - 2015

National Institute of Science Education and Research, Bhubaneswar

19/02/2015 to 22/02/2015

Poster 

Presentation

12        

 

Workshop on “Advances in Computational Materials Science”

Department of Physics, Central University of Tamil Nadu, Thiruvarur.

23/04/2015 to 25/04/2015

Participation

13

Applications of Computational Chemistry

Royal Society of Chemistry & Madurai Kamaraj University, Madurai

12/10/2015

Attended

14

International Conference on Magnetic Materials and Applications (ICMAGMA-2015) 

Vellore Institute of Technology with Magnetic Society of India

02/12/2015 To 04/12/2015

Presented Poster

15

First International Conference on Advanced Materials for Power Engineering – ICAMPE

International and Inter University Centre for Nanoscience and Nanotechnology (IIUCNN) Mahatma Gandhi University P.D Hills P.O, Kottayam

11/12/2015 To 13/12/2015

Best Poster Award

16

First Symposium on Advanced Functional Materials

CSIR-Central Electrochemical Research Institute, Karaikudi, India.

26/05/2016 to 28/05/2016

Presented Poster

17

International Conference on Electronic Materials (IUMRS-ICEM-2016)

Materials Research Society of Singapore

04/07/2016 To 08/07/2016

Best Poster Award

18.

ECS School on Electrochemical Energy Storage and Conversion

Electrochemical Society of India & CSIR-Central Electrochemical Research Institute, Karaikudi, India.

20/08/2016 To 24/08/2016

Participated

19

Asian Consortium on Computational Materials Science Theme meeting on First Principles Analysis & Experiment: Role in Energy Research

S.R.M University Kattankulathur, Chennai – 603203.

22/09/2016 To 24/09/2016

Poster Presentation

20

3rd International Conference of Young Researchers on Advanced Materials (IUMRS-ICRAM-2016)

International Union of Materials Research Society, Materials Research Society of India & Indian Institute of Science, Bangalore

11/12/2016 To 15/12/2016

Poster Presentation

21

Workshop on Advanced Functional Materials

CSIR-Central Electrochemical Research Institute, Karaikudi, India.

22/05/2016

Participated

22

ECS India Section School

Applications of functional materials for electrochemical energy conversion

25/12/2017 To 29/12/2017

Participated

23

Physics Boat Workshop - 2019

Atomic structure of nanosystems from first-principles simulations and microscopy experiments (AS-SIMEX 2019)

28/05/2019 To 30/05/2019

Oral Presentation
  • Received DST Inspire Faculty fellowship (DST/INSPIRE/04/2019/000283) by Department of Science and Technology India. This award carries monthly compensation of Rs. 1,25000 and a yearly research grant of Rs. 7,00,000 for five years (2020-2025).
  • Received Senior Research Fellowship (Grant No. 31/20(145)/2015-EMRI) from CSIR. This fellowship covers monthly stipend of Rs. 28,000 with 10% housing rent allowance and yearly contingency grant of Rs. 20,000 for three years (2015-2018).
  • Received International Travel Grant of Rs. 55,000 from Science and Engineering Research Board, to take part in IUMRS-ICEM-2016 conference held in Singapore. (Grant No. ITS/1366/201617).
  • Best Poster Award at the International Conference on Electronic Materials-2016, Singapore, organized by the International Union of Materials Research Society.
  • Best Poster Award at the International Conference on Advanced Materials for Power Engineering-2015 conference, India.
  • Best Poster Award at the Winter School on “Frontier in Materials Science” – 2014, India.
  • Best Poster Award at the IUMRS- International Conference on Advanced Materials – 2013, India.
  • Qualified in Graduate Aptitude Test for Engineering (GATE) exam – 2011 and joined as Junior Research Fellow (JRF) at CSIR- Central Electrochemical Research Institute, India.
  • B.Sc., Physics 2009-Gold Medal (College Level).

Dr J Karthikeyan

DST-INSPIRE Faculty
Physics
;