Department of Physics and Astronomy
Condensed Matter and Materials Physics
Alex Shluger's group
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Dr. Navaratnarajah Kuganathan

About me

Navaratnarajah Kuganthan was awarded his BSc (Hons 1st Class) from the University of Jaffna, Srilanka in 2001. He subsequently taught for three years in the Department of Chemistry, University of Jaffna while he was trained in teaching and research skills under the guidance of Prof. Rajeswary Mageswaran. In 2004, he was awarded a Felix Scholarship to read for a D. Phil degree at the University of Oxford where his research concerned electronic structure calculations of filled nanotubes under the supervision of Prof. Jennifer Green. Having obtained his D. Phil degree in 2008, he was working as a post-doctoral research officer for two years under the supervision of Prof. Saiful Islam at the University of Bath where he was modelling silicate based cathode materials for Lithium ion batteries. In October 2010, he joined the group of Dr. Elena Bichoutskaia in the school of chemistry, University of Nottingham, as a post-doctoral research fellow and his research centered on the electronic structures of molecules and crystals encapsulated within single walled nanotubes. Since January 2012, he has been working as a post doctoral research associate in Peter Sushko's group in the department of physics & astronomy, University College London. Currently, his research focuses on computational modelling of amorphous electrides and electride surfaces.

Research Interests

-Theoretical modelling of amorphous electrides and electride surfaces
-DFT methods to study the electronic properties of filled nanotubes and interaction of molecules with carbon nanotubes and graphite
-Theoretical methods to propose structures for 1D crystals that may be found in SWNTs.
-Atomistic simulation of cathode materials for Lithium ion batteries


Department of Physics & Astronomy University College London
-PHAS2444: Practical Physics for Natural Sciences including Matlab/Mathematica
-PHAS2130: Practical Astrophysics 2A including Matlab/Mathematica
-PHAS1245: Mathematical Methods 1

Membership to professional organisations

-Member of the Royal Society of Chemistry (MRSC)
-Member of the Institute of Nanotechnology (MIoN)
-Member of the Institute of Chemistry Ceylon (MIChemC)
-Member of the Institute of Chemistry Ireland (MICI)
-Member Chartered Chemist of the Royal Australian Chemical Institute Inc (MRACI CChem)
-Member of the American Nano Society (MANS)


-The GraphITA-COST best poster presentation award for the outstanding scientific contribution in the field of graphene presented at the European Workshop GraphITA - 2011 (Gran Sasso National Laboratories Assergi - L'Aquila, Italy)
-Felix Scholarship for Postgraduate Research- 2004-2007 (University of Oxford, UK)
-Sir Arunachalam Mahadeva Memorial Prize for the best performance in the Honours Degree examination in Chemistry-1999 (University of Jaffna, Srilanka)
-University Prize for the best performance in the Honours Degree Examination in Science -1999 (University of Jaffna, Srilanka)

Selected Publications

Dinitrogen fixation and activation by Ti and Zr atoms, clusters and complexes, Navaratnarajah Kuganathan, Jennifer C. Green and Hans-Jorg* Himmel, New J .Chem, 2006, 30, 1253-1262

Mercury Telluride Crystals Encapsulated within Single Walled Carbon Nanotubes: a Density Functional Study, Navaratnarajah Kuganathan and Jennifer C. Green* Int. J. Quantum. Chem, 2008, 108, 797.

Interaction of Tripodal Porphyrin Hosts with Single Walled Carbon Nanotubes and C60: an Experiment and Theoretical (DFT) Account. Sofia I. Pascu, Navaratnarajah Kuganathan, Lok H. Tong, Robert M. J. Jacobs, Brian T. Chu, Christoph G. Salzmann, Gerard Tobias, Michael Ward, Jennifer C. Green, Malcolm L.H. Green and Jeremy K. M. Sanders. J. Mater. Chem, 2008, 18, 2781 [cover issue]

Crystal structure of low-dimensional Cu (I) halides: DFT prediction of cuprophilic interactions. Navaratnarajah Kuganathan and Jennifer C. Green* Chem. Comm., 2008, 2432-2434.

Toxicity of Datura alba leaf extract to aphids and ants. Navaratnarajah Kuganathan, S. Saminathan & S. Muttukrishna. Int. J. Toxicology. 2008 Volume 5 Number 2

1D lead iodide crystals encapsulated within single walled carbon nanotubes Navaratnarajah Kuganathan and Jennifer C. Green Int.J.Quantum.Chem. 2009, 109 (2), 171

Li2MnSiO4 Lithium Battery Material: Atomic-Scale Study of Defects, Lithium Mobility, and Trivalent Dopants. N. Kuganathan and M. S. Islam, Chem Mater. 2009, 21, 5196-5202.

Antimony Selenide Crystals Encapsulated within Single Walled Carbon Nanotubes-A DFT Study. Navaratnarajah Kuganathan, E-J. Chem, 2009, 6, S147-S152.

Density functional theory (DFT) modelling of C60 and N@C60. Navaratnarajah Kuganathan, Int. J. Nanotechnology. 2009 Volume 3 Number 1

DFT Modelling of Tripeptides (Lysine-Tryptophan-Lysine) Interacting with Single Walled Carbon Nanotubes, Navaratnarajah Kuganathan, E-J. Chem, 2010, 7, 870-874.

Electronic properties of graphite and single walled carbon nanotubes- a DFT study, Navaratnarajah Kuganathan, Int. J. Nanotechnology. 2010 Volume 3 Number 2

Chemical Analysis of Datura Metel Leaves and Investigation of the Acute Toxicity on Grasshoppers and Red Ants, Navaratnarajah Kuganathan and Sashikesh Ganeshalingam, E-J. Chem, 2011, 8, 107-112.

Self-assembly of a sulphur-terminated graphene nanoribbon within a single-walled carbon nanotube, A. Chuvilin, E. Bichoutskaia, M. C. Gimenez-Lopez, T. W. Chamberlain, G. A. Rance, N. Kuganathan, J. Biskupek, U. Kaiser and A. N. Khlobystov, Nature Mater, 2011, 10, 687-692.

Structure and Lithium Transport Pathways in Li2FeSiO4 Cathodes for Lithium Batteries, A. Robert Armstrong, Navaratnarajah Kuganathan, M. Saiful Islam and Peter G. Bruce, Journal of the American Chemical Society JACS 2011, 133 (33), pp 13031-13035.

Interactions between Amino acid-Tagged Naphthalenediimide and Single Walled Carbon Nanotubes for the design and construction of new bioimaging probes, Zhiyuan Hu, G. Dan Pantos, Navaratnarajah Kuganathan, Rory L. Arrowsmith, Robert M. J. Jacobs, Gabriele Kociok-Kohn, Kerstin Jurkschat, Pierre Burgos, Rex M. Tyrrell, Stan W. Botchway, Jeremy K. M. Sanders, Sofia I. Pascu, Adv.Func.Mater, 2012, 22, 503-518. [cover issue]

Aberration corrected imaging of a carbon nanotube encapsulated Lindqvist ion and correlation with Density Functional Theory, J Sloan, E Bichoutskaia, Z Liu, N Kuganathan, E Faulques, K Suenaga, I J Shannon, Electron Microscopy and Analysis-Group Conference 2011 (EMAG 2011) Book Series: J. Phys.: Conf. Ser. 2012, 371, 012018

Reactions of Single-Walled Carbon Nanotubes with Transition Metals Studied at the Atomic Scale, T. Zoberbier, T. W. Chamberlain, J. Biskupek, N. Kuganathan, E. Bichoutskaia, U. Kaiser and A. N. Khlobystov Journal of the American Chemical Society JACS, 2012, 134, 3073-3079

Ultra high-precision imaging of individual Lindqvist Ions and correlation with first principles quantum mechanical calculations, Elena Bichoutskaia, Zheng Liu, Navaratnarajah Kuganathan, Kazu Suenaga, Ian J. Shannon, and Jeremy Sloan. Nanoscale, 2012, 4, 1190-1199

Physicochemical Analysis of Pond Water Samples from Selected Areas in Valukkai Aru Drainage Channel, Jaffna, Srilanka, Sashikesh Ganeshalingam, J. P. Jeyadevan, Navaratnarajah Kuganathan. WaterR &D, 2012, Vol.2, No 1&2, 12-23

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