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  • 2020
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  • Navaratnarajah Kuganathan
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2020

A carbon-doped tantalum dioxyfluoride as a superior electron transport material for high performance organic optoelectronics

Vasilopoulou, M., Mohd Yusoff, A. R. B., Kuganathan, N., Bao, X., Verykios, A., Polydorou, E., Armadorou, K-K., Soultati, A., Papadimitropoulos, G., Irfan Haider, M., Fakharuddin, A., C. Palilis, L., Kennou, S., Chroneos, A., Argitis, P. & Davazogloua, D., Apr 2020, In : nano energy. 70, 104508.

Research output: Contribution to journal › Article

Computer modeling investigation of MgV2O4 for Mg-ion batteries

Kuganathan, N., Davazoglou, K. & Chroneos, A., 17 Jan 2020, In : Journal of Applied Physics. 127, 3, 10 p., 035106.

Research output: Contribution to journal › Article

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 journal › Article

Open Access
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3 Downloads (Pure)

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 journal › Article

Open Access
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4 Downloads (Pure)

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 journal › Article

Open Access
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2 Downloads (Pure)

Lithium Storage in Nanoporous Complex Oxide 12CaO•7Al2O3 (C12A7)

Kuganathan, N. & Chroneos, A., 26 Mar 2020, In : Energies. 13, 7, 9 p., 1457.

Research output: Contribution to journal › Article

Open Access
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2 Downloads (Pure)
2019

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 journal › Article

Open Access
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1 Citation (Scopus)
2 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 journal › Article

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

Cadmium trapping by C60 and B-, Si-, and N-doped C60

Kuganathan, N., Selvanantharajah, N., Iyngaran, P., Abiman, P. & Chroneos, A., 7 Feb 2019, In : Journal of Applied Physics. 125, 5, 10 p., 054302.

Research output: Contribution to journal › Article

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

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 journal › Article

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

Defect Chemistry, Sodium Diffusion and Doping Behaviour in NaFeO2 Polymorphs as Cathode Materials for Na-Ion Batteries: A Computational Study

Kuganathan, N., Kelaidis, N. & Chroneos, A., 4 Oct 2019, In : Materials. 12, 19, 14 p., 3243.

Research output: Contribution to journal › Article

Open Access
File
11 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 journal › Article

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

Defect Chemistry and Na-Ion Diffusion in Na3Fe2(PO4)3 Cathode Material

Kuganathan, N. & Chroneos, A., 25 Apr 2019, In : Materials. 12, 8, 10 p., 1348.

Research output: Contribution to journal › Article

Open Access
File
6 Citations (Scopus)
4 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 journal › Article

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

Defects, Diffusion, and Dopants in Li2Ti6O13: Atomistic Simulation Study

Kuganathan, N., Ganeshalingam, S. & Chroneos, A., 4 Sep 2019, In : Materials. 12, 18, p. 1-11 11 p., 2851.

Research output: Contribution to journal › Article

Open Access
File
2 Citations (Scopus)
21 Downloads (Pure)

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 journal › Article

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

Defects, dopants and Mg diffusion in MgTiO3

Kuganathan, N., Iyngaran, P., Vovk, R. & Chroneos, A., 13 Mar 2019, In : Scientific Reports. 9, 1, 9 p., 4394.

Research output: Contribution to journal › Article

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

Defects, Lithium Ion Diffusion and Trivalent Dopants in Li2MnO2

Kuganathan, N., Ganeshalingam, S., Abiman, P. & Chroneos, A., 18 Feb 2019, In : Journal of Jaffna Science Association. 1, 1

Research output: Contribution to journal › Article

3 Downloads (Pure)

Defects, Lithium Mobility and Tetravalent Dopants in the Li3NbO4 Cathode Material

Kuganathan, N., Kordatos, A., Kelaidis, N. & Chroneos, A., 18 Feb 2019, In : Scientific Reports. 9, 1, 8 p., 2192.

Research output: Contribution to journal › Article

Open Access
File
11 Citations (Scopus)
40 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 journal › Article

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

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 journal › Review article

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

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 journal › Article

Open Access
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2 Downloads (Pure)

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 journal › Article

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

Encapsulation of cadmium telluride nanocrystals within single walled carbon nanotubes

Kuganathan, N. & Chroneos, A., 24 Mar 2019, In : Inorganica Chimica Acta. 488, p. 246-254 9 p.

Research output: Contribution to journal › Article

Open Access
File
2 Citations (Scopus)
2 Downloads (Pure)

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 journal › Article

Open Access
File
3 Citations (Scopus)

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 journal › Article

Open Access
File
1 Citation (Scopus)
4 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 journal › Article

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

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 journal › Article

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

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 journal › Article

Open Access
File
8 Citations (Scopus)

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 journal › Article

Open Access
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2 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 journal › Article

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

The encapsulation selectivity for anionic fission products imparted by an electride

Kuganathan, N., Chroneos, A. & Grimes, R. W., 20 Sep 2019, In : Scientific Reports. 9, 1, 11 p., 13612.

Research output: Contribution to journal › Article

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

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 journal › Article

Open Access
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7 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 journal › Article

1 Citation (Scopus)
2018

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 journal › Article

18 Citations (Scopus)

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 journal › Article

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

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 journal › Article

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

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 journal › Article

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

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 journal › Article

Open Access
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7 Downloads (Pure)

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 journal › Article

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

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 journal › Article

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

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 journal › Article

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

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 journal › Article

5 Citations (Scopus)

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 journal › Article

Open Access
File
8 Citations (Scopus)
6 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 journal › Article

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

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 journal › Article

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

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 journal › Article

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

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 journal › Comment/debate

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 journal › Article

Open Access

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 journal › Article

Open Access
20 Citations (Scopus)