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• 2016

  Activation volumes of oxygen self-diffusion in fluorite structured oxides

  Christopoulos, S-R. G., Kordatos, A., Cooper, M. W. D., Fitzpatrick, M. E. & Chroneos, A., 27 Oct 2016, In: Materials Research Express. 3, 10, 105504.

  Research output: Contribution to journal › Article › peer-review

  • Fluorspar
  • Oxides
  • Chemical activation
  • Oxygen
  • Molecular dynamics
  2 Citations (Scopus)

• A thermodynamic approach of self- and hetero-diffusion in GaAs: Connecting point defect parameters with bulk properties

  Saltas, V., Chroneos, A. & Vallianatos, F., 26 May 2016, In: RSC Advances. 58, 6, p. 53324-53330 7 p.

  Research output: Contribution to journal › Article

  Open Access

  File

  • gallium arsenide
  • Point defects
  • Chemical activation
  • Thermodynamics
  • Doping (additives)
  20 Citations (Scopus)

  26 Downloads (Pure)

• A thermodynamic approach to self-diffusion in silicon: Evidence of a single diffusion mechanism?

  Saltas, V., Chroneos, A. & Vallianatos, F., 15 Sep 2016, In: Materials Chemistry and Physics. 181, p. 204-208

  Research output: Contribution to journal › Article › peer-review

  • Silicon
  • Chemical activation
  • Thermodynamics
  • activation
  • Point defects
  17 Citations (Scopus)

• Attempts to synthesise quaternary MAX phases (Zr,M)2AlC and Zr2(Al,A)C as a way to approach Zr2AlC

  Horlait, D., Grasso, S., Chroneos, A. & Lee, W. E., 9 Feb 2016, In: Materials Research Letters. 4, 3, p. 137-144

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • Antimony
  47 Citations (Scopus)

  26 Downloads (Pure)

• Computational modelling to enhance safety of operating nuclear power plants

  Mathew, J., Christopoulos, S., Chroneos, A., Parfitt, D. & Fitzpatrick, M., 13 Oct 2016.

  Research output: Contribution to conference › Abstract

• Conductivity of YBCO ceramics in a wide range of temperatures and hafnium impurities concentrations

  Savich, S. V., Samoilov, A. V., Samsonik, A. L., Sukhov, V. N., Tiutierieva, K. V., Rusalovich, A. I., Vovk, R. V., Boynik, A. B. & Chroneos, A., 2016, In: Functional Materials. 23, 1, p. 21-26

  Research output: Contribution to journal › Article

  Open Access

  • Hafnium
  • Impurities
  • barium copper yttrium oxide
  • Temperature
  • Scattering

• Connecting point defect parameters with bulk properties to describe diffusion in solids

  Chroneos, A., Dec 2016, In: Applied Physics Reviews. 3, 4, 041304.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • point defects
  • geophysics
  • thermodynamics
  • fuel cells
  • materials science
  21 Citations (Scopus)

  33 Downloads (Pure)

• Controlling A-center concentration in silicon through isovalent doping: Mass action analysis

  Christopoulos, S., Parfitt, D. C., Sgourou, E. N., Londos, C. A., Vovk, R. V. & Chroneos, A., May 2016, In: Journal of Materials Science: Materials in Electronics. 27, 5, p. 4385-4391

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • Silicon
  • Doping (additives)
  • Oxygen vacancies
  • silicon
  • Tin
  2 Citations (Scopus)

  35 Downloads (Pure)

• Disordered Ionic Conductors

  Kordatos, A., Christopoulos, S., Fitzpatrick, M. & Chroneos, A., 8 Sep 2016.

  Research output: Contribution to conference › Abstract

  • conductors
  • solid oxide fuel cells
  • energy storage
  • electric power
  • electric batteries

• Effect of Hafnium Impurities on the Magnetoresistance of YBa2Cu3O7−δ

  Savich, S. V., Samoylov, A. V., Kamchatnaya, S. N., Goulatis, I. L., Vovk, R. V., Chroneos, A., Solovjov, A. L. & Omelchenko, L. V., 21 Nov 2016, In: Journal of Low Temperature Physics. (in press)

  Research output: Contribution to journal › Article

  Open Access

  File

  • barium copper yttrium oxide
  • Hafnium
  • Magnetoresistance
  • hafnium
  • Impurities
  1 Citation (Scopus)

  18 Downloads (Pure)

• Effect of longitudinal magnetic field on the excess conductivity of monodomain YBa2Cu3O7-δ single crystals

  Tiutierieva, K. V., Zavgorodnya, N. M., Dovgopolova, Y. V., Chernovol-Tkachenko, O. O., Vovk, R. V. & Chroneos, A., 2016, In: Functional Materials. 23, 2, p. 170-173

  Research output: Contribution to journal › Article

  Open Access

  • barium copper yttrium oxide
  • Single crystals
  • Magnetic fields
  • Temperature
  • Vortex flow

• Electrophysical properties of nanoporous cerium dioxide–water system

  Biletskyi, V. I., Bogdanov, V. V., Boyko, Y. I., Vovk, R. V., Khadzhai, G. Y., Goulatis, I. L. & Chroneos, A., 7 Oct 2016, In: Journal of Materials Science: Materials in Electronics. p. 1-3

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • Cerium
  • cerium
  • Phase transitions
  • ceric oxide
  • impedance
  13 Downloads (Pure)

• Gold and silver diffusion in germanium: a thermodynamic approach

  Panayiotatos, Y., Vovk, R. V. & Chroneos, A., 1 Oct 2016, In: Journal of Materials Science: Materials in Electronics. (in press)

  Research output: Contribution to journal › Article

  Open Access

  File

  • Germanium
  • Silver
  • Gold
  • germanium
  • Thermodynamics
  3 Citations (Scopus)

  39 Downloads (Pure)

• Infrared studies of the evolution of the CiOi(SiI) defect in irradiated Si upon isothermal anneals

  Angeletos, T., Chroneos, A. & Londos, C. A., 31 Mar 2016, In: Journal of Applied Physics. 119, 125704.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • defects
  • annealing
  • liquid helium
  • interstitials
  • room temperature
  7 Citations (Scopus)

  30 Downloads (Pure)

• Investigation of oxygen self-diffusion in PuO2 by combining molecular dynamics with thermodynamic calculations

  Saltas, V., Chroneos, A., Cooper, M. W. D., Fitzpatrick, M. E. & Vallianatos, F., 26 Oct 2016, In: RSC Advances. 6, 105, p. 103641-103649 9 p.

  Research output: Contribution to journal › Article

  Open Access

  File

  • Molecular dynamics
  • Chemical activation
  • Thermodynamics
  • Oxygen
  • Plutonium
  5 Citations (Scopus)

  22 Downloads (Pure)

• Modification by high pressure of fluctuation paraconductivity of underdoped HoBa2Cu3O7-δ single crystals

  Kamchatnaya, S. N., Goulatis, I. L., Vovk, R. V. & Chroneos, A., Aug 2016, In: Journal of Materials Science: Materials in Electronics. 27, 8, p. 8013-8019

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • Single crystals
  • holders
  • single crystals
  • conductivity
  • Temperature
  1 Citation (Scopus)

  36 Downloads (Pure)

• Modification of superconducting and resistive properties of HoBa2Cu3O7−δ single crystals under application-removal of high hydrostatic pressure

  Vovk, R. V., Khadzhai, G. Y., Dobrovolskiy, O. V., Kamchatna, S. N. & Chroneos, A., 28 Jun 2016, In: Modern Physics Letters B. 30, 1650188.

  Research output: Contribution to journal › Article

  Open Access

  • electrical resistance
  • hydrostatic pressure
  • single crystals
  • temperature dependence
  • augmentation
  17 Citations (Scopus)

• Oxygen self-diffusion in ThO2 under pressure: connecting point defect parameters with bulk properties

  Cooper, M. W. D., Fitzpatrick, M. E., Tsoukalas, L. H. & Chroneos, A., 2016, In: Materials Research Express.

  Research output: Contribution to journal › Article

  Open Access

  File

  • Point defects
  • Hydrostatic pressure
  • Oxygen
  • Nuclear fuels
  • Molecular dynamics
  3 Citations (Scopus)

  25 Downloads (Pure)

• Physical properties of the recently discovered Zr2(Al1−x Bi x )C MAX phases

  Hadi, M. A., Vovk, R. V. & Chroneos, A., Nov 2016, In: Journal of Materials Science: Materials in Electronics. 27, 11, p. 11925-11933 9 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • Fermi level
  • Lattice constants
  • Optical conductivity
  • Physical properties
  • physical properties
  37 Citations (Scopus)

  17 Downloads (Pure)

• Plasma engineering of graphene

  Dey, A., Chroneos, A., Braithwaite, N. S. J., Gandhiraman, R. P. & Krishnamurthy, S., 22 Apr 2016, In: Applied Physics Reviews. 3, 021301.

  Research output: Contribution to journal › Article

  Open Access

  File

  • graphene
  • engineering
  • controllability
  • nanotechnology
  • materials science
  73 Citations (Scopus)

  388 Downloads (Pure)

• Relative concentrations of carbon related defects in silicon

  Christopoulos, S., Parfitt, D., Sgourou, E. N., Londos, C. A., Vovk, R. V. & Chroneos, A., Nov 2016, In: Journal of Materials Science: Materials in Electronics. 27, 11, p. 11268–11272 5 p.

  Research output: Contribution to journal › Article › peer-review

  • Silicon
  • Carbon
  • Defects
  • carbon
  • defects
  1 Citation (Scopus)

• S-functionalized MXenes as electrode materials for Li-ion batteries

  Zhu, J., Chroneos, A., Eppinger, J. & Schwingenschlögl, U., Dec 2016, In: Applied Materials Today. 5, p. 19-24 6 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • Diffusion barriers
  • Lithium-ion batteries
  • Electrodes
  • Density functional theory
  • Substitution reactions
  39 Citations (Scopus)

  246 Downloads (Pure)

• Silicene/germanene on MgX2 (X = Cl, Br, and I) for Li-ion battery applications

  Zhu, J., Chroneos, A. & Schwingenschlögl, U., Mar 2016, In: Nanoscale. 8, p. 7272-7277 6 p.

  Research output: Contribution to journal › Article

  Open Access

  File

  • Silicene
  • Diffusion barriers
  • Lithium-ion batteries
  • Electronic properties
  • Magnesium Chloride
  30 Citations (Scopus)

  61 Downloads (Pure)

• Stabilization of Zrn+1AlCn MAX Phases: Issues and Achievements

  Zapata-Solvas, E., Christopoulos, S., Fitzpatrick, M., Chroneos, A. & Lee, W. E., 23 Oct 2016.

  Research output: Contribution to conference › Abstract › peer-review

  Open Access

  • Nuclear reactors
  • Stabilization
  • Accidents
  • Phase stability
  • Zircaloy

• Synthesis and DFT investigation of new bismuth-containing MAX phases

  Horlait, D., Middleburgh, S. C., Chroneos, A. & Lee, W. E., 7 Jan 2016, In: Scientific Reports. 6, 18829.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • bismuth
  • synthesis
  • transition metals
  • density functional theory
  • ceramics
  71 Citations (Scopus)

  13 Downloads (Pure)

• Thermodynamic calculations of oxygen self-diffusion in mixed-oxide nuclear fuels

  Parfitt, D. C., Cooper, M. W. D., Rushton, M. J. D., Christopoulos, S-R. G., Fitzpatrick, M. E. & Chroneos, A., 29 Jul 2016, In: RSC Advances. 6, p. 74018-74027 10 p.

  Research output: Contribution to journal › Article

  Open Access

  File

  • Mixed oxide fuels
  • uranium dioxide
  • Thorium
  • Thermodynamics
  • Oxygen
  10 Citations (Scopus)

  28 Downloads (Pure)

• Vacancy formation in MoO3: hybrid density functional theory and photoemission experiments

  Akande, S. O., Chroneos, A., Vasilopoulou, M., Kennou, S. & Schwingenschlögl, U., 29 Sep 2016, In: Journal of Materials Chemistry C Materials for optical, magnetic and electronic devices. 4, 40, p. 9526-9531 6 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • molybdenum trioxide
  • Photoemission
  • Density functional theory
  • Vacancies
  • Electrochromism
  14 Citations (Scopus)

  30 Downloads (Pure)
• 2017

  Defect Chemistry and Migration Processes in Disordered Oxides

  Kordatos, A., Kelaidis, N., Christopoulos, S., Parfitt, D. & Chroneos, A., Sep 2017.

  Research output: Contribution to conference › Abstract

  • chemistry
  • ionic diffusion
  • oxides
  • solid oxide fuel cells
  • defects

• Defect processes in Li2ZrO3: insights from atomistic modelling

  Kordatos, A., Christopoulos, S-R. G., Kelaidis, N. & Chroneos, A., 26 Apr 2017, In: Journal of Materials Science: Materials in Electronics. (in press), p. (in press) 5 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • lithium zirconate
  • Doping (additives)
  • lithium
  • Defects
  • Binding energy
  3 Citations (Scopus)

  73 Downloads (Pure)

• Defect processes of M3AlC2 (M = V, Zr, Ta, Ti) MAX phases

  Christopoulos, S., Kelaidis, N. & Chroneos, A., Aug 2017, In: Solid State Communications. 261, p. 54-56 3 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • Density functional theory
  • Transition metals
  • Defects
  • Thermooxidation
  • Oxidation resistance
  5 Citations (Scopus)

  43 Downloads (Pure)

• Defect processes of Ti3AC2 MAX phases: Insights from atomistic modelling

  Kelaidis, N., Christopoulos, S., Parfitt, D., Fitzpatrick, M. & Chroneos, A., Sep 2017.

  Research output: Contribution to conference › Abstract

  • nuclear fuels
  • radioactive wastes
  • defects
  • operating temperature
  • transition metals

• Detecting anomalies in time series data via a deep learning algorithm combining wavelets, neural networks and Hilbert transform

  Kanarachos, S., Christopoulos, S., Chroneos, A. & Fitzpatrick, M., Nov 2017, In: Expert Systems with Applications. 85, p. 292-304

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • Deep learning
  • Time series
  • Learning algorithms
  • Neural networks
  • Anomaly detection
  52 Citations (Scopus)

  543 Downloads (Pure)

• Diffusion in energy materials: Governing dynamics from atomistic modelling

  Parfitt, D., Kordatos, A., Filippatos, P. P. & Chroneos, A., Sep 2017, In: Applied Physics Reviews. 4, 3, 031305.

  Research output: Contribution to journal › Book/Film/Article review › peer-review

  • solid oxide fuel cells
  • electric batteries
  • ionic diffusion
  • cleaners
  • energy conversion
  7 Citations (Scopus)

• Experimental synthesis and density functional theory investigation of radiation tolerance of Zr3(Al1-xSix)C2 MAX phases

  Zapata-Solvas, E., Christopoulos, S-R. G., Ni, N., Parfitt, D. C., Horlait, D., Fitzpatrick, M. E., Chroneos, A. & Lee, W. E., Apr 2017, In: Journal of the American Ceramic Society. 100, 4, p. 1377-1387

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • Density functional theory
  • Ti3SiC2
  • Radiation
  • Defects
  • Nuclear fuels
  30 Citations (Scopus)

  52 Downloads (Pure)

• Grain Boundary Diffusion in Fluorite Structured Oxides

  Christopoulos, S., Parfitt, D., Fossati, P., Kelaidis, N. & Chroneos, A., Sep 2017.

  Research output: Contribution to conference › Poster

  • fluorite
  • grain boundaries
  • oxides
  • cations
  • impurities

• Hydrogen and nitrogen codoping of anatase TiO₂ for efficiency enhancement in organic solar cells

  Vasilopoulou, M., Kelaidis, N., Polydorou, E., Soultati, A., Davazoglou, D., Argitis, P., Papadimitropoulos, G., Tsikritzis, D., Kennou, S., Auras, F., Georgiadou, D. G., Christopoulos, S. R. G. & Chroneos, A., 2017, In: Scientific Reports. 7, 1, 17839.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • anatase
  • solar cells
  • nitrogen
  • hydrogen
  • augmentation
  17 Citations (Scopus)

  15 Downloads (Pure)

• Impact of isovalent doping on the formation of the CiOi(SiI)n defects in silicon

  Christopoulos, S., Sgourou, E. N., Vovk, R. V., Chroneos, A. & Londos, C. A., Sep 2017, In: Solid State Communications. 263, p. 19-22 4 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • Silicon
  • Doping (additives)
  • Germanium
  • Defects
  • defects
  6 Citations (Scopus)

  13 Downloads (Pure)

• Influence of atomic structure on the nano-nickel-based catalyst activity produced by solution combustion synthesis in the hydrogenation of maleic acid

  Xanthopoulou, G., Thoda, O., Metaxa, E. D., Vekinis, G. & Chroneos, A., Apr 2017, In: Journal of Catalysis. 348, p. 9-21 13 p.

  Research output: Contribution to journal › Article › peer-review

  • Combustion synthesis
  • maleic acid
  • combustion synthesis
  • Hydrogenation
  • Catalyst activity
  14 Citations (Scopus)

• M3AlC2 MAX phases for nuclear applications

  Christopoulos, S., Fitzpatrick, M. & Chroneos, A., 6 Sep 2017.

  Research output: Contribution to conference › Abstract

  • Nuclear fuel cladding
  • Density functional theory
  • Transition metals
  • Defects
  • Radioactive wastes

• Mechanical behavior, bonding nature and defect processes of Mo2ScAlC2: A new ordered MAX phase

  Hadi, M. A., Naqib, S. H., Christopoulos, S., Chroneos, A. & Islam, A. K. M. A., 15 Nov 2017, In: Journal of Alloys and Compounds. 724, p. 1167-1175 9 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • Debye temperature
  • Density functional theory
  • Defects
  • Elastic constants
  • Mechanical stability
  28 Citations (Scopus)

  15 Downloads (Pure)

• Synthesis and physical properties of (Zr1−x,Tix)3AlC2MAX phases

  Zapata-Solvas, E., Hadi, M., Horlait, D., Parfitt, D., Thibaud, A., Chroneos, A. & Lee, W., Aug 2017, In: Journal of the American Ceramic Society. 100, 8, p. 3393-3401 9 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • Density functional theory
  • Lattice constants
  • Physical properties
  • Mechanical properties
  • Vickers hardness
  39 Citations (Scopus)

  23 Downloads (Pure)

• The C_iO_i(Si_I)₂ defect in silicon: Density functional theory calculations

  Christopoulos, S. R. G., Sgourou, E. N., Angeletos, T., Vovk, R. V., Chroneos, A. & Londos, C. A., Jul 2017, In: Journal of Materials Science: Materials in Electronics. 28, 14, p. 10295-10297 3 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • Density functional theory
  • Silicon
  • density functional theory
  • Defects
  • defects
  7 Citations (Scopus)

  20 Downloads (Pure)
• 2018

  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 journal › Article › peer-review

  Open Access

  File

  • anatase
  • tensile stress
  • titanium oxides
  • chromium
  • solar spectra
  13 Citations (Scopus)

  38 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 journal › Article › peer-review

  Open Access

  File

  • titanium oxides
  • fluorine
  • nitrogen
  • defects
  • nitrogen oxides
  4 Citations (Scopus)

  34 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 journal › Article › peer-review

  • Vacancies
  • Lithium
  • lithium
  • Defects
  • defects
  26 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 › peer-review

  Open Access

  File

  • lithium
  • defects
  • activation energy
  • lithium batteries
  • chemistry
  18 Citations (Scopus)

  15 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 › peer-review

  Open Access

  File

  • Sodium
  • Manganese
  • Cations
  • Electrodes
  • Ions
  21 Citations (Scopus)

  8 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 journal › Article › peer-review

  Open Access

  File

  • Lithium
  • Aluminum
  • Electrodes
  • Ions
  • Kinetics
  24 Citations (Scopus)

  25 Downloads (Pure)

• Influence of Preheating Temperature on Solution Combustion Synthesis of Ni–NiO Nanocomposites: Mathematical Model and Experiment

  Thoda, O., Xanthopoulou, G., Prokof’ev, V., Roslyakov, S., Vekinis, G. & Chroneos, A., Oct 2018, In: International Journal of Self-Propagating High-Temperature Synthesis. 27, 4, p. 207-215 9 p.

  Research output: Contribution to journal › Article › peer-review

  • Combustion synthesis
  • Preheating
  • Nanocomposites
  • Mathematical models
  • Temperature
  4 Citations (Scopus)

• 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 journal › Article › peer-review

  Open Access

  File

  • elastic properties
  • defects
  • nuclear fuels
  • operating temperature
  • transition metals
  18 Citations (Scopus)

  89 Downloads (Pure)