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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., 18 Jan 2020, In : nano energy. 70, 104508.

Research output: Contribution to journalArticle

Tantalum
Optoelectronic devices
Oxides
Carbon
Metals

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 journalArticle

electric batteries
defects
ions
vanadium
spinel
1 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 journalArticle

Open Access
File
Encapsulation
Substitution reactions
Magnetoelectronics
Magnetic materials
Valence bands
2019
3 Downloads (Pure)

312 MAX Phases: Elastic Properties and Lithiation

Filippatos, P. P., Hadi, M. A., Christopoulos, S., Kordatos, A., Kelaidis, N., Fitzpatrick, M., Vasilopoulou, M. & Chroneos, A., 8 Dec 2019, In : Materials. 12, 13 p., 4098.

Research output: Contribution to journalArticle

Open Access
File
Atoms
Lithium
Chemical elements
Transition metals
Density functional theory

312 MAX phases: Nuclear applications of M3AlC2

Christopoulos, S., Parfitt, D., Kelaidis, N., Fitzpatrick, M. & Chroneos, A., 4 Jul 2019.

Research output: Contribution to conferencePoster

2 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
defects
ions
activation energy
solid electrolytes
diffusivity
3 Citations (Scopus)
5 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
Atomistic Simulation
Self-diffusion
Chemistry
Defects
Lithium
2 Citations (Scopus)
1 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 journalArticle

Open Access
File
heavy metals
cadmium
trapping
hazards
health
3 Citations (Scopus)
6 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 journalArticle

Open Access
File
Atomistic Simulation
Defects
Doping (additives)
Simulation Study
Vacancy
9 Downloads (Pure)
Open Access
File
Polymorphism
Cathodes
Sodium
Doping (additives)
Ions
12 Citations (Scopus)
18 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
Lithium
Ions
Ion Exchange
Oxidation-Reduction
Cations
5 Citations (Scopus)
4 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 journalArticle

Open Access
File
Cathodes
Ions
Vacancies
Defects
Doping (additives)
7 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
Cathodes
Defects
Doping (additives)
Lithium
Vacancy
1 Citation (Scopus)
17 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 journalArticle

Open Access
File
Doping (additives)
Defects
Ions
Activation energy
Electronic structure
12 Citations (Scopus)

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

lithium
Doping (additives)
Ions
Defects
defects
10 Citations (Scopus)
10 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 journalArticle

Open Access
File
Doping (additives)
Defects
Cations
Dielectric properties
Magnesium
3 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 journalArticle

lithium
defects
ions
activation energy
lithium oxides
10 Citations (Scopus)
34 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 journalArticle

Open Access
File
electric batteries
lithium
cathodes
defects
ions
15 Citations (Scopus)
7 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
Lithium
Ion Exchange
Electrodes
Phosphates
Ions
3 Citations (Scopus)
5 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 journalReview article

Open Access
File
Germanium
germanium
Chemical activation
Doping (additives)
activation
2 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 journalArticle

Open Access
File
Zirconium
Dimers
Chemical activation
Molecules
Nitrogen
2 Citations (Scopus)

Electronic structures, bonding natures and defect processes in Sn-based 211 MAX phases

Hadi, M. A., Kelaidis, N., Naqib, S. H., Chroneos, A. & Islam, A. K. M. A., Oct 2019, In : Computational Materials Science. 168, p. 203-212 10 p.

Research output: Contribution to journalArticle

Electronic Structure
Electronic structure
Covalent bonds
Defects
Chemical bonds
2 Citations (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 journalArticle

Open Access
File
Cadmium telluride
cadmium tellurides
Single-walled carbon nanotubes (SWCN)
Encapsulation
Nanocrystals
2 Citations (Scopus)

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

heavy metals
density functional theory
oxides
augmentation
energy
4 Citations (Scopus)
1 Downloads (Pure)

Engineering Transport in Manganites by Tuning Local Non-Stoichiometry in Grain Boundaries

Chiabrera, F., Garbayo, I., López‐Conesa, L., Martín, G., Ruiz‐Caridad, A., Walls, M., Ruiz‐González, L., Kordatos, A., Núñez, M., Morata, A., Estradé, S., Chroneos, A., Peiró, F. & Tarancón, A., 25 Jan 2019, In : Advanced Materials. 31, 4, 8 p., 1805360.

Research output: Contribution to journalArticle

Open Access
File
Manganites
Grain boundaries
Tuning
Mass transfer
Electronics engineering
3 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
germanium alloys
silicon alloys
defects
silicon
germanium
10 Citations (Scopus)

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
Lithium
electric batteries
lithium
Doping (additives)
Ions
6 Citations (Scopus)

Mechanical behaviors, lattice thermal conductivity and vibrational properties of a new MAX phase Lu2SnC

Hadi, M. A., Kelaidis, N., Naqib, S. H., Chroneos, A. & Islam, A. K. M. A., Jun 2019, In : Journal of Physics and Chemistry of Solids. 129, p. 162-171 10 p.

Research output: Contribution to journalArticle

thermal conductivity
elastic properties
shock resistance
thermal shock
oxidation resistance
2 Citations (Scopus)
23 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 journalArticle

Open Access
File
Ion Transport
Magnesium
Battery
Defects
Doping (additives)
8 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

electric batteries
Cathodes
cathodes
Doping (additives)
Ions

Numerical Investigation on the Operation and Energy Demand of a Seven-Stage Metal Hydride Hydrogen Compression System for Hydrogen Refuelling Stations

Gkanas, E., Christodoulou, C., Tzamalis, G., Stamatakis, E., Chroneos, A., Deligiannis, K., Karagiorgis, G. & Stubos, A. K., 22 Aug 2019, In : Renewable Energy. 147, p. 164-178 15 p.

Research output: Contribution to journalArticle

Hydrides
Hydrogen
Metals
Compressors
Thermal energy
1 Downloads (Pure)

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
Coinage
Encapsulation
Metals
Fullerenes
Adsorption
1 Citation (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
technetium
encapsulation
nuclear weapons testing
oxide
nuclear accident

The Ci(SiI)n defect in neutron‑irradiated silicon

Londos, C. A., Christopoulos, S., Chroneos, A., Angeletos, T., Potsidi, M. & Antonaras, G., 30 Nov 2019, In : Journal of Materials Science: Materials in Electronics. (In-Press), p. (In-Press) 5 p.

Research output: Contribution to journalArticle

Silicon
interstitials
Carbon
Defects
carbon
1 Citation (Scopus)

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 journalArticle

Open Access
File
Fission products
Encapsulation
Dimers
Anions
Atoms
6 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 journalArticle

Open Access
File
ilmenite
minerals
defects
ions
cations
2018
4 Citations (Scopus)
25 Downloads (Pure)

A roadmap of strain in doped anatase TiO2

Kelaidis, N., Kordatos, A., Christopoulos, S. & Chroneos, A., 24 Aug 2018, In : Scientific Reports. 8, 1, p. 1-8 8 p., 12790.

Research output: Contribution to journalArticle

Open Access
File
anatase
tensile stress
titanium oxides
chromium
axial strain
2 Citations (Scopus)
29 Downloads (Pure)

Defect pair formation in fluorine and nitrogen codoped TiO2

Kordatos, A., Kelaidis, N. & Chroneos, A., 28 Apr 2018, In : Journal of Applied Physics. 123, 16, 161510.

Research output: Contribution to journalArticle

Open Access
File
titanium oxides
fluorine
nitrogen
defects
nitrogen oxides
18 Citations (Scopus)

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

Lithium
Vacancies
lithium
Defects
defects
18 Citations (Scopus)
12 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
lithium
defects
activation energy
lithium batteries
cathodes
17 Citations (Scopus)
7 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 journalArticle

Open Access
File
Sodium
Manganese
Cations
Electrodes
Ions
21 Citations (Scopus)
20 Downloads (Pure)

Defects and lithium migration in Li2CuO2

Kordatos, A., Kuganathan, N., Kelaidis, N., Iyngaran, P. & Chroneos, A., 30 Apr 2018, In : Scientific Reports. 8, 1, 6754.

Research output: Contribution to journalArticle

Open Access
File
Lithium
Aluminum
Electrodes
Ions
8 Citations (Scopus)
38 Downloads (Pure)

Intrinsic defect processes and elastic properties of Ti3AC2 (A = Al, Si, Ga, Ge, In, Sn) MAX phases

Christopoulos, S., Filippatos, P-P., Hadi, M. A., Kelaidis, N., Fitzpatrick, M. & Chroneos, A., 14 Jan 2018, In : Journal of Applied Physics. 123, 2, 025103.

Research output: Contribution to journalArticle

Open Access
File
elastic properties
defects
nuclear fuels
operating temperature
thermal conductivity
1 Citation (Scopus)
11 Downloads (Pure)

Isovalent doping and the CiOi defect in germanium

Christopoulos, S., Sgourou, E. N., Vovk, R. V., Chroneos, A. & Londos, C. A., Mar 2018, In : Journal of Materials Science: Materials in Electronics. 29, 5, p. 4261–4265 5 p.

Research output: Contribution to journalArticle

Open Access
File
Germanium
germanium
Doping (additives)
Defects
defects
4 Citations (Scopus)
153 Downloads (Pure)
Open Access
File
Smartphones
Braking
Neural networks
Advanced driver assistance systems
Global positioning system
14 Citations (Scopus)
28 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 journalArticle

Open Access
File
electric batteries
lithium
cathodes
defects
ions
18 Citations (Scopus)
8 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 journalArticle

Open Access
File
Lithium
Ions
Ion Exchange
Cations
Electrodes
3 Citations (Scopus)
21 Downloads (Pure)

Migration of sodium and lithium interstitials in anatase TiO2

Kordatos, A., Kelaidis, N. & Chroneos, A., 1 Feb 2018, In : Solid State Ionics. 315, p. 40-43 4 p.

Research output: Contribution to journalArticle

Open Access
File
Lithium
anatase
Titanium dioxide
interstitials
lithium
9 Citations (Scopus)
15 Downloads (Pure)

Physical properties and defect processes of M3SnC2 (M = Ti, Zr, Hf) MAX phases: Effect of M-elements

Hadi, M. A., Christopoulos, S., Naqib, S. H., Chroneos, A., Fitzpatrick, M. & Islam, A. K. M. A., 5 Jun 2018, In : Journal of Alloys and Compounds. 748, p. 804-813 10 p.

Research output: Contribution to journalArticle

Open Access
File
Debye temperature
Fermi surface
Lattice constants
Physical properties
Defects
4 Citations (Scopus)
20 Downloads (Pure)

Probabilistic kernel machines for predictive monitoring of weld residual stress in energy systems

Alamaniotis, M., Mathew, J., Chroneos, A., Fitzpatrick, M. & Tsoukolas, L., May 2018, In : Engineering Applications of Artificial Intelligence. 71, p. 138-154 16 p.

Research output: Contribution to journalArticle

Open Access
File
Residual stresses
Welds
Linear regression
Monitoring
Steel pipe