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• 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 journal › Article › peer-review

  Open Access

  File

  • Doping (additives)
  • Ions
  • lithium
  • Defects
  • Vacancies
  21 Citations (Scopus)

  16 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 journal › Article › peer-review

  Open Access

  File

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

  8 Downloads (Pure)
• 2019

  Learning Driver Braking Behavior using Smartphones, Neural Networks and the Sliding Correlation Coefficient: Road Anomaly Case Study

  Christopoulos, S., Kanarachos, S. & Chroneos, A., Jan 2019, In: IEEE Transactions on Intelligent Transportation Systems. 20, 1, p. 65-74 10 p.

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

  Open Access

  File

  • Braking
  • Smartphones
  • Neural networks
  • Deep neural networks
  • Advanced driver assistance systems
  12 Citations (Scopus)

  199 Downloads (Pure)
• 2020

  Tuning the electronic properties of C12A7 via Sn doping and encapsulation

  Kuganathan, N. & Chroneos, A., Dec 2020, In: Journal of Materials Science: Materials in Electronics. 31, 23, p. 21203-21213 11 p.

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

  Open Access

  File

  • Electronic properties
  • Encapsulation
  • Doping (additives)
  • Electrons
  • Tuning
  2 Downloads (Pure)
• 2017

  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)

  545 Downloads (Pure)
• 2019

  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 › peer-review

  Open Access

  File

  • Doping (additives)
  • Defects
  • Cathodes
  • Ions
  • Lithium
  8 Citations (Scopus)

  11 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 › peer-review

  Open Access

  File

  • Technetium
  • Oxides
  • Encapsulation
  • Atoms
  • Dimers
  7 Citations (Scopus)

  8 Downloads (Pure)
• 2018

  Parametric Optimisation of Solution Combustion Synthesis Catalysts and Their Application for the Aqueous Hydrogenation of Maleic Acid

  Thoda, O., Xanthopoulou, G., Vekinis, G. & Chroneos, A., 1 Feb 2018, In: Catalysis Letters. 148, 2, p. 764-778 15 p.

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

  • Combustion synthesis
  • maleic acid
  • Hydrogenation
  • Acids
  • spinell
  7 Citations (Scopus)
• 2019

  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 journal › Article › peer-review

  Open Access

  File

  • Atoms
  • Density functional theory
  • elastic properties
  • Transition metals
  • Lithium
  8 Citations (Scopus)

  19 Downloads (Pure)
• 2018

  Solution combustion synthesis of nano-catalysts with a hierarchical structure

  Xanthopoulou, G., Thoda, O., Roslyakov, S., Steinman, A., Kovalev, D., Levashov, E., Vekinis, G., Sytschev, A. & Chroneos, A., Aug 2018, In: Journal of Catalysis. 364, p. 112-124 13 p.

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

  • Combustion synthesis
  • combustion synthesis
  • catalysts
  • Catalysts
  • Catalysis
  14 Citations (Scopus)
• 2019

  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 journal › Article › peer-review

  Open Access

  File

  • Electronic structure
  • Electronic Structure
  • Covalent bonds
  • Chemical bonds
  • Defects
  6 Citations (Scopus)

  15 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 › peer-review

  Open Access

  File

  • Sodium-ion batteries
  • Polymorphism
  • Doping (additives)
  • electric batteries
  • Sodium
  2 Citations (Scopus)

  12 Downloads (Pure)
• 2020

  Defects and Calcium Diffusion in Wollastonite

  Nimasha, S., Ganeshalingam, S., Kuganathan, N., Davazoglou, K. & Chroneos, A., 2 Nov 2020, In: chemistry. 2, 4, p. 937-946 10 p.

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

  Open Access

  File

  • calcium
  • defects
  • minerals
  • ions
  • interstitials
  3 Downloads (Pure)
• 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 journal › Review article › peer-review

  Open Access

  File

  • Germanium
  • Doping (additives)
  • Chemical activation
  • germanium
  • activation
  5 Citations (Scopus)

  9 Downloads (Pure)
• 2017

  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

• 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)

  21 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)
• 2019

  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 journal › Article › peer-review

  • Debye temperature
  • Thermal conductivity
  • thermal conductivity
  • Density functional theory
  • elastic properties
  23 Citations (Scopus)
• 2018

  The CiCs(SiI)n defect in silicon from a density functional theory perspective

  Christopoulos, S., Sgourou, E. N., Vovk, R. V., Chroneos, A. & Londos, C. A., Apr 2018, In: Materials. 11, 4, 6 p., 612.

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

  Open Access

  File

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

  20 Downloads (Pure)
• 2017

  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)
• 2019

  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 › peer-review

  Open Access

  File

  • electric batteries
  • lithium
  • cathodes
  • defects
  • ions
  15 Citations (Scopus)

  47 Downloads (Pure)
• 2020

  Structural, defect, transport and dopant properties of AgNbO3

  Kuganathan, N. & Chroneos, A., 1 Sep 2020, In: chemnanomat. 6, 9, p. 1337-1345 9 p.

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

  • Transport properties
  • Doping (additives)
  • Structural properties
  • Defects
  • Ions
• 2017

  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)
• 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 journal › Article › peer-review

  Open Access

  File

  • germanium alloys
  • silicon alloys
  • germanium
  • silicon
  • defects
  1 Citation (Scopus)

  11 Downloads (Pure)
• 2018

  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)
• 2017

  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)
• 2018

  Smartphones as an integrated platform for monitoring driver behaviour: The role of sensor fusion and connectivity

  Kanarachos, S., Christopoulos, S. & Chroneos, A., Oct 2018, In: Transportation Research Part C: Emerging Technologies. 95, p. 867-882 16 p.

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

  Open Access

  File

  • transportation system
  • Smartphones
  • driver
  • Fusion reactions
  • monitoring
  35 Citations (Scopus)

  144 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)
• 2017

  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)
• 2020

  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., 1 Mar 2020, In: Renewable Energy. 147, p. 164-178 15 p.

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

  Open Access

  File

  • Hydrides
  • Hydrogen
  • Metals
  • Compressors
  • Thermal energy
  3 Citations (Scopus)

  25 Downloads (Pure)
• 2017

  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)
• 2018

  Reactor pressure vessel embrittlement: Insights from neural network modelling

  Mathew, J., Parfitt, D., Wilford, K., Riddle, N., Alamaniotis, M., Chroneos, A. & Fitzpatrick, M. E., 15 Apr 2018, In: Journal of Nuclear Materials. 502, p. 311-322 12 p.

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

  Open Access

  File

  • pressure vessels
  • Embrittlement
  • embrittlement
  • Pressure vessels
  • reactors
  9 Citations (Scopus)

  32 Downloads (Pure)
• 2019

  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 journal › Article › peer-review

  Open Access

  File

  • manganite
  • Manganites
  • Grain boundaries
  • Tuning
  • Thin films
  8 Citations (Scopus)

  1 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 › peer-review

  Open Access

  File

  • Lithium
  • Ions
  • Ion Exchange
  • Cations
  • Oxidation-Reduction
  18 Citations (Scopus)

  23 Downloads (Pure)
• 2017

  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

• 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)
• 2020

  Encapsulation of volatile fission products in a two-dimensional dicalcium nitride electride

  Kuganathan, N., Chroneos, A. & Grimes, R. W., 28 Jul 2020, In: Journal of Applied Physics. 128, 4, p. 1-8 7 p., 045112.

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

  Open Access

  File

  • spent fuels
  • fission products
  • anions
  • nitrides
  • dimers
  2 Downloads (Pure)

• The Interstitial Carbon–Dioxygen Center in Irradiated Silicon

  Postidi, M., Kuganathan, N., Christopoulos, S., Chroneos, A., Angeletos, T., Sarlis, N. & Londis, C., Nov 2020, In: Crystals. 10, 11, p. 1-11 11 p., 1005.

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

  Open Access

  File

  • Silicon
  • interstitials
  • Defects
  • Carbon
  • defects
  2 Downloads (Pure)
• 2018

  Review of Recent Studies on Solution Combustion Synthesis of Nanostructured Catalysts

  Thoda, O., Xanthopoulou, G., Vekinis, G. & Chroneos, A., Aug 2018, In: Advanced Engineering Materials. 20, 8, 1800047.

  Research output: Contribution to journal › Review article › peer-review

  • Combustion synthesis
  • combustion synthesis
  • catalysts
  • Catalysts
  • Nanocatalysts
  30 Citations (Scopus)
• 2019

  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 › peer-review

  Open Access

  File

  • Atomistic Simulation
  • Doping (additives)
  • Defects
  • Vacancy
  • Simulation Study
  8 Citations (Scopus)

  11 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 › peer-review

  Open Access

  File

  • heavy metals
  • density functional theory
  • oxides
  • augmentation
  • energy
  5 Citations (Scopus)

  9 Downloads (Pure)
• 2017

  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)
• 2020

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

  Londos, C. A., Christopoulos, S., Chroneos, A., Angeletos, T., Potsidi, M. & Antonaras, G., Jan 2020, In: Journal of Materials Science: Materials in Electronics. 31, 2, p. 930-934 5 p.

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

  Open Access

  File

  • Silicon
  • Carbon
  • interstitials
  • Defects
  • carbon
  3 Downloads (Pure)
• 2019

  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 › peer-review

  Open Access

  File

  • Doping (additives)
  • Defects
  • defects
  • Ions
  • Activation energy
  5 Citations (Scopus)

  34 Downloads (Pure)
• 2018

  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)

  90 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 journal › Article › peer-review

  Open Access

  File

  • titanium dioxide
  • Titanium dioxide
  • Lithium
  • anatase
  • Sodium
  7 Citations (Scopus)

  50 Downloads (Pure)
• 2019

  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 › peer-review

  Open Access

  File

  • Fission products
  • Encapsulation
  • Dimers
  • Anions
  • Atoms
  8 Citations (Scopus)

  6 Downloads (Pure)
• 2020

  Defects, Diffusion and Dopants in Sillimanite

  Sukumar, R., Iyngaran, P., Kuganathan, N. & Chroneos, A., 29 Sep 2020, In: Minerals. 10, 10, p. 1-10 10 p., 857.

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

  Open Access

  File

  • sillimanite
  • Doping (additives)
  • Positive ions
  • defect
  • Ions
  10 Downloads (Pure)

• Hydrogen Adsorption on Ru-Encapsulated, -Doped and -Supported Surfaces of C60

  Kuganathan, N. & Chroneos, A., 19 Aug 2020, In: Surfaces. 3, p. 408-422 15 p.

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

  Open Access

  File

  • adsorption
  • hydrogen
  • clean energy
  • energy sources
  • density functional theory
  1 Downloads (Pure)