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  • Navaratnarajah Kuganathan
2018

Trapping of volatile fission products by C60

Kuganathan, N., Arya, A. K., Rushton, M. J. D. & Grimes, R. W., 1 Jun 2018, In : Carbon. 132, p. 477-485 9 p.

Research output: Contribution to journalArticle

Open Access
File
8 Citations (Scopus)
6 Downloads (Pure)
2013

Exploring pathways for activation of carbon monoxide by palladium iminophosphines

Kuganathan, N., Veal, E., Green, M. L. H., Green, J. C. & Pascu, S. I., 22 Oct 2013, In : ChemPlusChem. 78, 11, p. 1413-1420 8 p.

Research output: Contribution to journalArticle

2016

Development of Xe and Kr empirical potentials for CeO2, ThO2, UO2 and PuO2, combining DFT with high temperature MD

Cooper, M. W. D., Kuganathan, N., Burr, P. A., Rushton, M. J. D., Grimes, R. W., Stanek, C. R. & Andersson, D. A., 23 Aug 2016, In : Journal of Physics Condensed Matter. 28, 40, 405401.

Research output: Contribution to journalArticle

Open Access
20 Citations (Scopus)
2019

Directed Molecular Stacking for Engineered Fluorescent Three-Dimensional Reduced Graphene Oxide and Coronene Frameworks

Mao, B., Cortezon-Tamarit, F., Ge, H., Kuganathan, N., Mirabello, V., Palomares, F., Köhn, K., Botchway, S. W., Calatayud, D. G. & Pascu, S., 4 Dec 2019, In : ChemistryOpen. 2019, 8, p. 1383-1398 16 p.

Research output: Contribution to journalArticle

Open Access
File
1 Citation (Scopus)
2 Downloads (Pure)
2011

Self-assembly of a sulphur-terminated graphene nanoribbon within a single-walled carbon nanotube

Chuvilin, A., Bichoutskaia, E., Gimenez-Lopez, M. C., Chamberlain, T. W., Rance, G. A., Kuganathan, N., Biskupek, J., Kaiser, U. & Khlobystov, A. N., 7 Aug 2011, In : Nature Materials. 10, 9, p. 687-692 6 p.

Research output: Contribution to journalArticle

204 Citations (Scopus)
2018

Novel rhenium(V) nitride complexes with dithiocarbimate ligands – A synchrotron X-ray and DFT structural investigation

Perils, J., Cortezon-Tamarit, F., Kuganathan, N., Kociok-Köhn, G., Dilworth, J. R. & Pascu, S. I., 24 Apr 2018, In : Inorganica Chimica Acta. 475, p. 142-149 8 p.

Research output: Contribution to journalArticle

Open Access
File
1 Citation (Scopus)
7 Downloads (Pure)
2014

Enhanced N2 dissociation on Ru-loaded inorganic electride

Kuganathan, N., Hosono, H., Shluger, A. L. & Sushko, P. V., 12 Feb 2014, In : Journal of the American Chemical Society. 136, 6, p. 2216-2219 4 p.

Research output: Contribution to journalArticle

27 Citations (Scopus)
2018

Encapsulation of Cadmium Selenide Nanocrystals in Biocompatible Nanotubes: DFT Calculations, X-ray Diffraction Investigations, and Confocal Fluorescence Imaging

Calatayud, D. G., Ge, H., Kuganathan, N., Mirabello, V., Jacobs, R. M. J., Rees, N. H., Stoppiello, C. T., Khlobystov, A. N., Tyrrell, R. M., Como, E. D. & Pascu, S. I., 1 Feb 2018, In : ChemistryOpen. 7, 2, p. 144-158 15 p.

Research output: Contribution to journalArticle

Open Access
File
8 Citations (Scopus)
4 Downloads (Pure)

Defect process and lithium diffusion in Li2TiO3

Kuganathan, N., Kordatos, A., Fitzpatrick, M. E., Vovk, R. V. & Chroneos, A., 1 Dec 2018, In : Solid State Ionics. 327, p. 93-98 6 p.

Research output: Contribution to journalArticle

18 Citations (Scopus)
2019

Theoretical Modeling of Defects, Dopants, and Diffusion in the Mineral Ilmenite

Kuganathan, N., Srikaran, R., Fossati, P. C. M. & Chroneos, A., 4 Oct 2019, In : Minerals. 9, 10, 13 p., 610.

Research output: Contribution to journalArticle

Open Access
File
7 Downloads (Pure)
2018

Li2SnO3 as a Cathode Material for Lithium-ion Batteries: Defects, Lithium Ion Diffusion and Dopants

Kuganathan, N., Kordatos, A. & Chroneos, A., 22 Aug 2018, In : Scientific Reports. 8, 1, 9 p., 12621.

Research output: Contribution to journalArticle

Open Access
File
14 Citations (Scopus)
30 Downloads (Pure)

Defects, Dopants and Lithium Mobility in Li 9 v 3 (P 2 O 7 ) 3 (PO 4 ) 2

Kuganathan, N., Ganeshalingam, S. & Chroneos, A., 25 May 2018, In : Scientific Reports. 8, 1, 8140.

Research output: Contribution to journalArticle

Open Access
File
18 Citations (Scopus)
13 Downloads (Pure)
2013

Activation and splitting of carbon dioxide on the surface of an inorganic electride material

Toda, Y., Hirayama, H., Kuganathan, N., Torrisi, A., Sushko, P. V. & Hosono, H., 1 Dec 2013, In : Nature Communications. 4, 2378.

Research output: Contribution to journalArticle

76 Citations (Scopus)
2019

Diffusion and Dopant Activation in Germanium: Insights from Recent Experimental and Theoretical Results

Sgourou, E. N., Panayiotatos, Y., Vovk, R. V., Kuganathan, N. & Chroneos, A., 15 Jun 2019, In : Applied Sciences. 9, 12, 14 p., 2454.

Research output: Contribution to journalReview article

Open Access
File
4 Citations (Scopus)
6 Downloads (Pure)

Li3SbO4 lithium-ion battery material: Defects, lithium ion diffusion and tetravalent dopants

Kuganathan, N., Kordatos, A., Anurakavan, S., Iyngaran, P. & Chroneos, A., 1 Mar 2019, In : Materials Chemistry and Physics. 225, p. 34-41 8 p.

Research output: Contribution to journalArticle

Open Access
File
11 Citations (Scopus)
6 Downloads (Pure)

Technetium Encapsulation by A Nanoporous Complex Oxide 12CaO•7Al2O3 (C12A7)

Kuganathan, N. & Chroneos, A., 30 May 2019, In : Nanomaterials. 9, 6, 12 p., 816.

Research output: Contribution to journalArticle

Open Access
File
4 Citations (Scopus)
7 Downloads (Pure)

Impact of local composition on the energetics of E-centres in Si1−xGex alloys

Christopoulos, S., Kuganathan, N. & Chroneos, A., 26 Jul 2019, In : Scientific Reports. 9, 10849 (2019).

Research output: Contribution to journalArticle

Open Access
File
1 Citation (Scopus)
4 Downloads (Pure)
2017

Energetics of halogen impurities in thorium dioxide

Kuganathan, N., Ghosh, P. S., Arya, A. K., Dey, G. K. & Grimes, R. W., 1 Nov 2017, In : Journal of Nuclear Materials. 495, p. 192-201 10 p.

Research output: Contribution to journalArticle

Open Access
File
4 Citations (Scopus)
5 Downloads (Pure)
2012

High-precision imaging of an encapsulated Lindqvist ion and correlation of its structure and symmetry with quantum chemical calculations

Bichoutskaia, E., Liu, Z., Kuganathan, N., Faulques, E., Suenaga, K., Shannon, I. J. & Sloan, J., 21 Feb 2012, In : Nanoscale. 4, 4, p. 1190-1199 10 p.

Research output: Contribution to journalArticle

10 Citations (Scopus)
2018

Lithium diffusion in Li5FeO4

Kuganathan, N., Iyngaran, P. & Chroneos, A., 11 Apr 2018, In : Scientific Reports. 8, 1, 7 p., 5832.

Research output: Contribution to journalArticle

Open Access
File
18 Citations (Scopus)
9 Downloads (Pure)
2016

Melting behavior of (Th,U)O2 and (Th,Pu)O2 mixed oxides

Ghosh, P. S., Kuganathan, N., Galvin, C. O. T., Arya, A., Dey, G. K., Dutta, B. K. & Grimes, R. W., 1 Oct 2016, In : Journal of Nuclear Materials. 479, p. 112-122 11 p.

Research output: Contribution to journalArticle

Open Access
File
19 Citations (Scopus)
21 Downloads (Pure)
2019

Defects, dopants and Li-ion diffusion in Li2SiO3

Kuganathan, N., Tsoukalas, L. H. & Chroneos, A., 1 Jul 2019, In : Solid State Ionics. 335, p. 61-66 6 p.

Research output: Contribution to journalArticle

Open Access
File
14 Citations (Scopus)
1 Downloads (Pure)
2020

Encapsulation and substitution of Fe in C12A7 (12CaO⋅ 7Al2O3)

Kuganathan, N., Gkanas, E. & Chroneos, A., 27 Jan 2020, In : AIP Advances. 10, 1, 7 p., 015242.

Research output: Contribution to journalArticle

Open Access
File
1 Citation (Scopus)
2 Downloads (Pure)
2013

Defect chemistry and lithium-ion migration in polymorphs of the cathode material Li2MnSiO4

Fisher, C. A. J., Kuganathan, N. & Islam, M. S., 7 Apr 2013, In : Journal of Materials Chemistry A. 1, 13, p. 4207-4214 8 p.

Research output: Contribution to journalArticle

85 Citations (Scopus)
2016

A computational study on the superionic behaviour of ThO2

Ghosh, P. S., Arya, A., Dey, G. K., Kuganathan, N. & Grimes, R. W., 14 Dec 2016, In : Physical Chemistry Chemical Physics. 18, 46, p. 31494-31504 11 p.

Research output: Contribution to journalArticle

Open Access
2017

Frontispiece: Fluorescence-Lifetime Imaging and Super-Resolution Microscopies Shed Light on the Directed- and Self-Assembly of Functional Porphyrins onto Carbon Nanotubes and Flat Surfaces

Mao, B., Calatayud, D. G., Mirabello, V., Kuganathan, N., Ge, H., Jacobs, R. M. J., Shepherd, A. M., Ribeiro Martins, J. A., Bernardino De La Serna, J., Hodges, B. J., Botchway, S. W. & Pascu, S. I., 21 Jul 2017, In : Chemistry - A European Journal. 23, 41, p. 9772 1 p.

Research output: Contribution to journalComment/debate

Fission gas in thoria

Kuganathan, N., Ghosh, P. S., Galvin, C. O. T., Arya, A. K., Dutta, B. K., Dey, G. K. & Grimes, R. W., 1 Mar 2017, In : Journal of Nuclear Materials. 485, p. 47-55 9 p.

Research output: Contribution to journalArticle

Open Access
File
9 Citations (Scopus)
5 Downloads (Pure)
2019

Encapsulation of heavy metals by a nanoporous complex oxide 12CaO · 7Al2 O3

Kuganathan, N., Grimes, R. W. & Chroneos, A., 23 Apr 2019, In : Journal of Applied Physics. 125, 16, 9 p., 165103.

Research output: Contribution to journalArticle

Open Access
File
3 Citations (Scopus)

Na3V(PO4)2 cathode material for Na ion batteries: Defects, dopants and Na diffusion

Kuganathan, N. & Chroneos, A., Aug 2019, In : Solid State Ionics. 336, p. 75-79 5 p.

Research output: Contribution to journalArticle

Open Access
File
8 Citations (Scopus)
1 Downloads (Pure)
2018

Helium trapping and clustering in ThO2

Kuganathan, N., Ghosh, P. S., Arya, A. & Grimes, R. W., 15 Aug 2018, In : Journal of Nuclear Materials. 507, p. 288-296 9 p.

Research output: Contribution to journalArticle

Open Access
File
7 Downloads (Pure)
2019

Stability of Coinage Metals Interacting with C60

Kuganathan, N., Srikaran, R. & Chroneos, A., 18 Oct 2019, In : Nanomaterials. 9, 10, p. 1-13 13 p., 1484.

Research output: Contribution to journalArticle

Open Access
File
2 Downloads (Pure)

Defect Chemistry and Li-ion Diffusion in Li2RuO3

Kuganathan, N., Kordatos, A. & Chroneos, A., 24 Jan 2019, In : Scientific Reports. 9, 1, 9 p., 550.

Research output: Contribution to journalArticle

Open Access
File
13 Citations (Scopus)
19 Downloads (Pure)

Atomistic Simulations of the Defect Chemistry and Self-Diffusion of Li-ion in LiAlO2

Kuganathan, N., Dark, J., Sgourou, E. N., Panayiotatos, Y. & Chroneos, A., 27 Jul 2019, In : Energies. 12, 15, 10 p., 2895.

Research output: Contribution to journalArticle

Open Access
File
3 Citations (Scopus)
7 Downloads (Pure)

A Computational Study of Defects, Li-Ion Migration and Dopants in Li2ZnSiO4 Polymorphs

Perera, D., Ganeshalingam, S., Kuganathan, N. & Chroneos, A., 27 Oct 2019, In : crystals. 9, 11, 13 p., 563.

Research output: Contribution to journalArticle

Open Access
File
1 Citation (Scopus)
2 Downloads (Pure)

Thermal and diffusional properties of (Th,Np)O2 and (U,Np)O2 mixed oxides

Ghosh, P. S., Arya, A., Kuganathan, N. & Grimes, R. W., 1 Aug 2019, In : Journal of Nuclear Materials. 521, p. 89-98 10 p.

Research output: Contribution to journalArticle

1 Citation (Scopus)

Defect, Diffusion and Dopant Properties of NaNiO2: Atomistic Simulation Study

Kaushalya, R., Iyngaran, P., Kuganathan, N. & Chroneos, A., 12 Aug 2019, In : Energies. 12, 16, 10 p., 3094.

Research output: Contribution to journalArticle

Open Access
File
4 Citations (Scopus)
6 Downloads (Pure)

Defects and dopant properties of Li3V2(PO4)3

Kuganathan, N. & Chroneos, A., 23 Jan 2019, In : Scientific Reports. 9, 1, 8 p., 333.

Research output: Contribution to journalArticle

Open Access
File
17 Citations (Scopus)
8 Downloads (Pure)

Defect process, dopant behaviour and Li ion mobility in the Li 2 MnO 3 cathode material

Kuganathan, N., Sgourou, E. N., Panayiotatos, Y. & Chroneos, A., 7 Apr 2019, In : Energies. 12, 7, 11 p., 1329.

Research output: Contribution to journalArticle

Open Access
File
8 Citations (Scopus)
9 Downloads (Pure)
2020

Electronegativity and doping in Si1-xGex alloys

Christopoulos, S., Kuganathan, N. & Chroneos, A., 4 May 2020, In : Scientific Reports. 10, 11 p., 7459.

Research output: Contribution to journalArticle

Open Access
File
4 Downloads (Pure)
2012

Interactions between amino acid-tagged naphthalenediimide and single walled carbon nanotubes for the design and construction of new bioimaging probes

Hu, Z., Pantoş, G. D., Kuganathan, N., Arrowsmith, R. L., Jacobs, R. M. J., Kociok-Köhn, G., O'Byrne, J., Jurkschat, K., Burgos, P., Tyrrell, R. M., Botchway, S. W., Sanders, J. K. M. & Pascu, S. I., 8 Feb 2012, In : Advanced Functional Materials. 22, 3, p. 503-518 16 p.

Research output: Contribution to journalArticle

38 Citations (Scopus)
2019

Dinitrogen activation by zirconium dimer loaded C60

Kuganathan, N., Fossati, P. C. M., Gkanas, E. & Chroneos, A., 31 May 2019, In : AIP Advances. 9, 5, 9 p., 055331.

Research output: Contribution to journalArticle

Open Access
File
2 Downloads (Pure)
2020

Defects and Dopants in CaFeSi2O6: classical and DFT simulations

Kuganathan, N. & Chroneos, A., 10 Mar 2020, In : Energies. 13, 5, 16 p., 1285.

Research output: Contribution to journalArticle

Open Access
File
3 Downloads (Pure)
2011

Structure and lithium transport pathways in Li2FeSiO4 cathodes for lithium batteries

Armstrong, A. R., Kuganathan, N., Islam, M. S. & Bruce, P. G., 24 Aug 2011, In : Journal of the American Chemical Society. 133, 33, p. 13031-13035 5 p.

Research output: Contribution to journalArticle

226 Citations (Scopus)

Chemical analysis of Datura metel leaves and investigation of the acute toxicity on grasshoppers and red ants

Kuganathan, N. & Ganeshalingam, S., 1 Jan 2011, In : E-Journal of Chemistry. 8, 1, p. 107-112 6 p.

Research output: Contribution to journalArticle

7 Citations (Scopus)
2017

Fluorescence-Lifetime Imaging and Super-Resolution Microscopies Shed Light on the Directed- and Self-Assembly of Functional Porphyrins onto Carbon Nanotubes and Flat Surfaces

Mao, B., Calatayud, D. G., Mirabello, V., Kuganathan, N., Ge, H., Jacobs, R. M. J., Shepherd, A. M., Ribeiro Martins, J. A., Bernardino De La Serna, J., Hodges, B. J., Botchway, S. W. & Pascu, S. I., 21 Jul 2017, In : Chemistry - A European Journal. 23, 41, p. 9772-9789 18 p.

Research output: Contribution to journalArticle

Open Access
File
6 Citations (Scopus)
9 Downloads (Pure)
2018

Phase stability, electronic structures and elastic properties of (U,Np)O2 and (Th,Np)O2 mixed oxides

Ghosh, P. S., Kuganathan, N., Arya, A. & Grimes, R. W., 20 Jun 2018, In : Physical Chemistry Chemical Physics. 20, 27, p. 18707-18717 11 p.

Research output: Contribution to journalArticle

5 Citations (Scopus)
2012

Interactions and reactions of transition metal clusters with the interior of single-walled carbon nanotubes imaged at the atomic scale

Zoberbier, T., Chamberlain, T. W., Biskupek, J., Kuganathan, N., Eyhusen, S., Bichoutskaia, E., Kaiser, U. & Khlobystov, A. N., 15 Feb 2012, In : Journal of the American Chemical Society. 134, 6, p. 3073-3079 7 p.

Research output: Contribution to journalArticle

60 Citations (Scopus)
2019

Mg6MnO8 as a Magnesium-Ion Battery Material: Defects, Dopants and Mg-Ion Transport

Kuganathan, N., Gkanas, E. & Chroneos, A., 21 Aug 2019, In : Energies. 12, 17, 9 p., 3213.

Research output: Contribution to journalArticle

Open Access
File
4 Citations (Scopus)
26 Downloads (Pure)
2018

Defects, Dopants and Sodium Mobility in Na2MnSiO4

Kuganathan, N. & Chroneos, A., 1 Dec 2018, In : Scientific Reports. 8, 1, 7 p., 14669.

Research output: Contribution to journalArticle

Open Access
File
19 Citations (Scopus)
7 Downloads (Pure)
2012

Aberration corrected imaging of a carbon nanotube encapsulated lindqvist ion and correlation with density functional theory

Sloan, J., Bichoutskaia, E., Liu, Z., Kuganathan, N., Faulques, E., Suenaga, K. & Shannon, I. J., 1 Jan 2012, In : Journal of Physics: Conference Series. 371, 012018.

Research output: Contribution to journalConference article

2 Citations (Scopus)