Faculty Profile

Dr J Karthikeyan

DST-INSPIRE Faculty

Physics

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:

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).
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).
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).
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).
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).
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).
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).
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).
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).
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).
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]
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).
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).
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).
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).
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).
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).