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Ioannis Deretzis holds a BSc from the University of Thessaloniki, Greece, an MSc from the University of York, UK, and a PhD from the University of Catania, Italy. He is working on various fields of computational materials science and theoretical solid-state physics, including the density functional theory, classical and ab initio molecular dynamics, electron transport, device modeling and simulations of experimental techniques. His current research interests focus on low-dimensional materials and hybrid perovskites.
Scientific Productions
ACS Applied Nano Materials [American Chemical Society],
Electrical and Structural Properties of Ohmic Contacts of SiC Diodes Fabricated on Thin Wafers
Solid State Phenomena [Trans Tech Publications Ltd], Volume: 359 Pages: 97-103
arXiv preprint arXiv:2403.11606 [],
Stability and decoherence analysis of the silicon vacancy in
Physical Review A [American Physical Society], Volume: 109 Issue: 2 Pages: 022603
Crystals [MDPI], Volume: 14 Issue: 2 Pages: 125
Interface Properties of MoS2 van der Waals Heterojunctions with GaN
Nanomaterials [MDPI], Volume: 14 Issue: 2 Pages: 133
Advanced Optical Materials [], Pages: 2302397
Multiscale atomistic modelling of CVD: From gas-phase reactions to lattice defects
Materials Science in Semiconductor Processing [Pergamon], Volume: 167 Pages: 107792
Nanomaterials [MDPI], Volume: 13 Issue: 22 Pages: 2910
Local Coordination Modulates the Reflectivity of Liquefied Si–Ge Alloys
The Journal of Physical Chemistry C [American Chemical Society],
Impact of surface reflectivity on the ultra-fast laser melting of silicon-germanium alloys
Materials Science in Semiconductor Processing [Pergamon], Volume: 165 Pages: 107635
Atomistic insights into ultrafast SiGe nanoprocessing
The Journal of Physical Chemistry C [American Chemical Society],
Direct atomic layer deposition of ultra-thin Al2O3 and HfO2 films on gold-supported monolayer MoS2
Applied Surface Science [North-Holland], Volume: 630 Pages: 157476
Ni-Silicide Ohmic Contacts on 4H-SiC Formed by Multi Pulse Excimer Laser Annealing
Solid State Phenomena [Trans Tech Publications Ltd], Volume: 344 Pages: 15-22
Preventing lead leakage in perovskite solar cells with a sustainable titanium dioxide sponge
Nature Sustainability [Nature Publishing Group UK], Pages: 1-10
Lead Detection in a Gig-Lox TiO2 Sponge by X-ray Reflectivity
Nanomaterials [MDPI], Volume: 13 Issue: 8 Pages: 1397
physica status solidi (RRL)–Rapid Research Letters [], Pages: 2300218
Multiscale Simulations for Defect-Controlled Processing of Group IV Materials
Crystals [Multidisciplinary Digital Publishing Institute], Volume: 12 Issue: 12 Pages: 1701
Decoherence analysis of silicon vacancies in 3C-SiC
arXiv preprint arXiv:2211.00341 [],
Aluminum Frenkel defects cause hysteresis in Al2O3/AlGaN capacitors
Journal of Applied Physics [AIP Publishing LLC], Volume: 132 Issue: 16 Pages: 165105
In-Situ Degradation Pathway Analyses on Hybrid Perovskites with Mixed Cations and Anions
The Journal of Physical Chemistry C [American Chemical Society], Volume: 126 Issue: 39 Pages: 16825-16833
Solar RRL [], Volume: 6 Issue: 8 Pages: 2200267
Black‐Yellow Bandgap Trade‐Off During Thermal Stability Tests in Low‐Temperature Eu‐Doped CsPbI3
Solar RRL [], Volume: 6 Issue: 6 Pages: 2200008
Multiscale modeling of ultrafast melting phenomena
npj Computational Materials [Nature Publishing Group], Volume: 8 Issue: 1 Pages: 1-10
Solar RRL [Wiley], Volume: 6 Issue: 8 Pages: 2200267
Electronics [Multidisciplinary Digital Publishing Institute], Volume: 11 Issue: 2 Pages: 203
Formation of CsPbI3 γ‐Phase at 80 °C by Europium‐Assisted Snowplow Effect
Advanced Energy and Sustainability Research [], Volume: 2 Issue: 7 Pages: 2100091
Exploring the Structural Competition between the Black and the Yellow Phase of CsPbI3
Nanomaterials [Multidisciplinary Digital Publishing Institute], Volume: 11 Issue: 5 Pages: 1282
Optical behaviour of γ-black CsPbI3 phases formed by quenching from 80° C and 325° C
Journal of Physics: Materials [IOP Publishing],
The Journal of Physical Chemistry C [American Chemical Society], Volume: 125 Issue: 9 Pages: 4938-4945
Journal of Materials Chemistry A [Royal Society of Chemistry], Volume: 9 Issue: 30 Pages: 16456-16469
Simulations of the Ultra-Fast Kinetics in Ni-Si-C Ternary Systems under Laser Irradiation
Materials [Multidisciplinary Digital Publishing Institute], Volume: 14 Issue: 16 Pages: 4769
TiO2 Colloids Laser-Treated in Ethanol for Photocatalytic H2 Production
ACS Applied Nano Materials [American Chemical Society], Volume: 3 Issue: 9 Pages: 9127-9140
Genesis and evolution of extended defects: The role of evolving interface instabilities in cubic SiC
Applied Physics Reviews [AIP Publishing LLC], Volume: 7 Issue: 2 Pages: 021402
Phononic transport and simulations of annealing processes in nanometric complex structures
Physical Review Materials [American Physical Society], Volume: 4 Issue: 5 Pages: 056007
Outstanding Reviewers for Energy & Environmental Science in 2019
Energy & Environmental Science [Royal Society of Chemistry], Volume: 13 Issue: 5 Pages: 1299-1299
Frontiers in Chemistry [Frontiers Media SA], Volume: 8 Pages: 200
Temperature Dependent Optical Band Gap in CsPbBr3, MAPbBr3 and FAPbBr3 Single Crystals
The journal of physical chemistry letters [American Chemical Society], Volume: 11 Issue: 7 Pages: 2490-2496
Advanced Electronic Materials [], Volume: 6 Issue: 2 Pages: 1901171
physica status solidi (RRL)–Rapid Research Letters [], Volume: 14 Issue: 2 Pages: 1900399
Local Order and Rotational Dynamics in Mixed A-Cation Lead Iodide Perovskites
The journal of physical chemistry letters [American Chemical Society], Volume: 11 Issue: 3 Pages: 1068-1074
Frontiers in Chemistry [Frontiers], Volume: 8 Pages: 200
Energies [Multidisciplinary Digital Publishing Institute], Volume: 13 Issue: 15 Pages: 3953
Wet Environment Effects for Ethanol and Water Adsorption on Anatase TiO2 (101) Surfaces
The Journal of Physical Chemistry C [American Chemical Society], Volume: 124 Issue: 4 Pages: 2406-2419
High performance graphene/AlGaN/GaN Schottky junctions for hot electron transistors
ACS Applied Electronic Materials [American Chemical Society], Volume: 1 Issue: 11 Pages: 2342-2354
Hybrid perovskites for photovoltaics: Story, challenges and opportunities
La Rivista del Nuovo Cimento [Società Italiana di Fisica], Volume: 42 Issue: 7 Pages: 301-366
Physical Review E [American Physical Society], Volume: 99 Issue: 6 Pages: 063307
Pb clustering and PbI 2 nanofragmentation during methylammonium lead iodide perovskite degradation
Nature communications [Nature Publishing Group], Volume: 10 Issue: 1 Pages: 1-11
Simulation of the Growth Kinetics in Group IV Compound Semiconductors
physica status solidi (a) [], Volume: 216 Issue: 10 Pages: 1800597
Advanced Materials Interfaces [], Volume: 6 Issue: 10 Pages: 1900097
Nitrogen Soaking Promotes Lattice Recovery in Polycrystalline Hybrid Perovskites
Advanced Energy Materials [], Volume: 9 Issue: 12 Pages: 1803450
Theoretical study of the laser annealing process in FinFET structures
Applied Surface Science [North-Holland], Volume: 467 Pages: 666-672
ADVANCED MATERIALS INTERFACES [Wiley-VCH Verlag GmbH & Co. KGaA.], Pages: 1-11
Theoretical study of the laser annealing process in FinFET structures
Applied Surface Science [North-Holland]
AIP Conference Proceedings [AIP Publishing LLC], Volume: 1990 Issue: 1 Pages: 020008
Nanotechnology [IOP Publishing], Volume: 29 Issue: 39 Pages: 395702
Stability and Degradation in Hybrid Perovskites: Is the Glass Half-Empty or Half-Full?
The journal of physical chemistry letters [American Chemical Society],
physica status solidi (a) [], Volume: 215 Issue: 10 Pages: 1700653
Phase field model of the nanoscale evolution during the explosive crystallization phenomenon
Journal of Applied Physics [AIP Publishing LLC], Volume: 123 Issue: 10 Pages: 105105
Simulation of the Growth Kinetics in Group IV Compound Semiconductors
physica status solidi (a) [], Pages: 1800597
Anisotropic ultraviolet-plasmon dispersion in black phosphorus
Nanoscale [Royal Society of Chemistry], Volume: 10 Issue: 46 Pages: 21918-21927
NANOSCALE-CAMBRIDGE- [Royal Society of Chemistry], Volume: 10 Issue: 46 Pages: 21918-21927
Role of H Distribution on Coherent Quantum Transport of Electrons in Hydrogenated Graphene
Condensed Matter [Multidisciplinary Digital Publishing Institute], Volume: 2 Issue: 4 Pages: 37
ACS Applied Materials & Interfaces [American Chemical Society], Volume: 9 Issue: 27 Pages: 23164-23174
Revealing a Discontinuity in the Degradation Behavior of CH3NH3PbI3 during Thermal Operation
The Journal of Physical Chemistry C [American Chemical Society], Volume: 121 Issue: 25 Pages: 13577-13585
Atom by Atom Simulations of Nanomaterial Manipulation: The Plasma Etching Case
IEEE Transactions on Nanotechnology [IEEE], Volume: 16 Issue: 5 Pages: 790-797
Atom by Atom simulation of nano-materials manipulation: the plasma etching case
IEEE Transactions on Nanotechnology [IEEE]
Revealing a Discontinuity in the Degradation Behaviour of CH3NH3PbI3 during Thermal Operation
The Journal of Physical Chemistry C [American Chemical Society],
First Evidence of CH3NH3PbI3 Optical Constants Improvement in a N2 Environment in the Range 40–80° C
The Journal of Physical Chemistry C [American Chemical Society], Volume: 121 Issue: 14 Pages: 7703-7710
First Evidence of CH3NH3PbI3 Optical Constant Improvement in N2 Environment in the Range 40-80° C
The Journal of Physical Chemistry C [American Chemical Society],
The Journal of Physical Chemistry C [American Chemical Society], Volume: 121 Issue: 9 Pages: 5408-5414
Exploring the orthorhombic-tetragonal phase transition in CH3NH3PbI3: The role of atom kinetics
Nanoscale [Royal Society of Chemistry], Volume: 9 Issue: 18 Pages: 5896-5903
Absorption edges of black phosphorus: A comparative analysis
physica status solidi (b) [], Volume: 253 Issue: 12 Pages: 2509-2514
From PbI2 to MAPbI3 through Layered Intermediates
The Journal of Physical Chemistry C [American Chemical Society], Volume: 120 Issue: 35 Pages: 19768-19777
Scientific reports [Nature Publishing Group], Volume: 6 Issue: 1 Pages: 1-7
Simulating structural transitions with kinetic Monte Carlo: The case of epitaxial graphene on SiC
Physical Review E [American Physical Society], Volume: 93 Issue: 3 Pages: 033304
Kinetic Monte Carlo simulations of vacancy evolution in graphene
Materials Science in Semiconductor Processing [Pergamon], Volume: 42 Pages: 179-182
Stability of solution-processed MAPbI 3 and FAPbI 3 layers
Physical Chemistry Chemical Physics [Royal Society of Chemistry], Volume: 18 Issue: 19 Pages: 13413-13422
Electron energy-loss spectra of graphene oxide for the determination of oxygen functionalities
Carbon [Pergamon], Volume: 93 Pages: 1034-1041
Similar structural dynamics for the degradation of CH3NH3PbI3 in air and in vacuum
ChemPhysChem [WILEY‐VCH Verlag], Volume: 16 Issue: 14 Pages: 3064-3071
Texture of MAPbl (3) Layers Assisted by Chloride on Flat TiO2 Substrates (vol 119, pg 19808, 2015)
JOURNAL OF PHYSICAL CHEMISTRY C [AMER CHEMICAL SOC], Volume: 119 Issue: 37 Pages: 21745-21745
Texture of MAPbI3 layers assisted by chloride on flat TiO2 substrates
The Journal of Physical Chemistry C [American Chemical Society], Volume: 119 Issue: 34 Pages: 19808-19816
STEM and EELS investigation on black phosphorus at atomic resolution
Microscopy and Microanalysis [Cambridge University Press], Volume: 21 Issue: S3 Pages: 427-428
Interface disorder probed at the atomic scale for graphene grown on the C face of SiC
Physical Review B [American Physical Society], Volume: 91 Issue: 15 Pages: 155411
Atomistic origins of CH {sub 3} NH {sub 3} PbI {sub 3} degradation to PbI {sub 2} in vacuum
Applied Physics Letters [], Volume: 106 Issue: 13
Atomistic origins of CH3NH3PbI3 degradation to PbI2 in vacuum
Applied Physics Letters [AIP Publishing LLC], Volume: 106 Issue: 13 Pages: 131904
Observation of layer by layer graphitization of 4H-SiC, through atomic-EELS at low energy
Microscopy and Microanalysis [Cambridge University Press], Volume: 20 Issue: S3 Pages: 560-561
EPL (Europhysics Letters) [IOP Publishing], Volume: 107 Issue: 2 Pages: 27006
Journal of crystal growth [North-Holland], Volume: 393 Pages: 150-155
Origin and impact of sublattice symmetry breaking in nitrogen-doped graphene
Physical Review B [American Physical Society], Volume: 89 Issue: 11 Pages: 115408
Applied surface science [North-Holland], Volume: 291 Pages: 53-57
Applied surface science [North-Holland], Volume: 291 Pages: 69-73
Atomic Scale Imaging and Energy Loss Spectroscopy of Epitaxial Graphene
MRS Online Proceedings Library Archive [Cambridge University Press], Volume: 1714
Direct growth of quasi-free-standing epitaxial graphene on nonpolar SiC surfaces
Physical Review B [American Physical Society], Volume: 88 Issue: 8 Pages: 085408
Process simulation of hydrogen intercalation in epitaxial graphene on SiC (0001)
physica status solidi (b) [], Volume: 250 Issue: 8 Pages: 1478-1482
Microscopy and Microanalysis [Cambridge University Press], Volume: 19 Issue: S2 Pages: 1238-1239
Delaminated graphene at silicon carbide facets: atomic scale imaging and spectroscopy
ACS nano [American Chemical Society], Volume: 7 Issue: 4 Pages: 3045-3052
A density functional theory study of epitaxial graphene on the (3× 3)-reconstructed C-face of SiC
Applied Physics Letters [American Institute of Physics], Volume: 102 Issue: 9 Pages: 093101
Interaction between hydrogen flux and carbon monolayer on SiC (0001): graphene formation kinetics
Nanoscale [Royal Society of Chemistry], Volume: 5 Issue: 2 Pages: 671-680
Electronic transport at monolayer-bilayer junctions in epitaxial graphene on SiC
Physical Review B [American Physical Society], Volume: 86 Issue: 23 Pages: 235422
Journal of Raman Spectroscopy [John Wiley & Sons, Ltd], Volume: 43 Issue: 8 Pages: 1018-1023
Electronic transport signatures of common defects in irradiated graphene-based systems
Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms [North-Holland], Volume: 282 Pages: 108-111
arXiv preprint arXiv:1206.6600 [],
Physical Review B [American Physical Society], Volume: 85 Issue: 23 Pages: 235310
Applied Physics Letters [American Institute of Physics], Volume: 100 Issue: 13 Pages: 134104
Quantum transport modeling of defected graphene nanoribbons
Physica E: Low-dimensional Systems and Nanostructures [North-Holland], Volume: 44 Issue: 6 Pages: 981-984
Physical Review B [American Physical Society], Volume: 84 Issue: 23 Pages: 235426
Nanoscale research letters [SpringerOpen], Volume: 6 Issue: 1 Pages: 1-5
Ab Initio Study of Ge Intercalation in Epitaxial Graphene on SiC (0001)
Applied Physics Express [IOP Publishing], Volume: 4 Issue: 12 Pages: 125101
Ion beam induced defects in graphene: Raman spectroscopy and DFT calculations
Journal of Molecular Structure [Elsevier], Volume: 993 Issue: 1-3 Pages: 506-509
Coherent electron transport in quasi one-dimensional carbon-based systems
The European Physical Journal B [Springer-Verlag], Volume: 81 Issue: 1 Pages: 15
Single-layer metallicity and interface magnetism of epitaxial graphene on SiC (000 1)
Applied Physics Letters [American Institute of Physics], Volume: 98 Issue: 2 Pages: 023113
Nanoscale research letters [Springer], Volume: 6 Issue: 1 Pages: 234-234
Atomistic quantum transport modeling of metal-graphene nanoribbon heterojunctions
Physical Review B [American Physical Society], Volume: 82 Issue: 16 Pages: 161413
Lack of universal conductance features in disordered graphene nanoribbons
physica status solidi c [WILEY‐VCH Verlag], Volume: 7 Issue: 3‐4 Pages: 1246-1250
Effects due to backscattering and pseudogap features in graphene nanoribbons with single vacancies
Physical Review B [American Physical Society], Volume: 81 Issue: 8 Pages: 085427
Journal of Physics: Condensed Matter [IOP Publishing], Volume: 22 Issue: 9 Pages: 095504
Ab initio prediction of boron compounds arising from borozene: structural and electronic properties
Nanoscale research letters [SpringerOpen], Volume: 5 Issue: 1 Pages: 158-163
Conductance distribution in doped and defected graphene nanoribbons
Physical Review B [American Physical Society], Volume: 80 Issue: 19 Pages: 195413
Ab initio prediction of boron compounds arising from borozene: structural and electronic properties
Nanoscale research letters [Springer New York], Volume: 5 Issue: 1 Pages: 158
Electronic structure of epitaxial graphene nanoribbons on SiC (0001)
Applied Physics Letters [American Institute of Physics], Volume: 95 Issue: 6 Pages: 063111
Insulator-metal transition in biased finite polyyne systems
The European Physical Journal B [Springer-Verlag], Volume: 70 Issue: 3 Pages: 311-316
Violation of the single-parameter scaling hypothesis in disordered graphene nanoribbons
Physical Review B [American Physical Society], Volume: 78 Issue: 15 Pages: 153405
Nonequilibrium aspects of armchair graphene nanoribbon conduction
Materials science in semiconductor processing [Pergamon], Volume: 11 Issue: 5-6 Pages: 190-194
Electronic transport in carbon nanotube based nano-devices
Physica E: Low-dimensional Systems and Nanostructures [North-Holland], Volume: 40 Issue: 7 Pages: 2333-2338
A polaron model of the electronic transport in a nanotube quantum dot
Physica E: Low-dimensional Systems and Nanostructures [North-Holland], Volume: 40 Issue: 7 Pages: 2289-2293
Bias-driven local density of states alterations and transport in ballistic molecular devices
The Journal of chemical physics [American Institute of Physics], Volume: 128 Issue: 16 Pages: 164706
Nonequilibrium electron charging in carbon-nanotube-based molecular bridges
Applied Physics Letters [American Institute of Physics], Volume: 91 Issue: 16 Pages: 163111
Phonon driven nonlinear electrical behavior in molecular devices
Physical review letters [American Physical Society], Volume: 99 Issue: 13 Pages: 136404
Effects of interface bonding on the conductance of metal–carbon nanotube–metal systems
Materials Science and Engineering: C [Elsevier], Volume: 27 Issue: 5-8 Pages: 1102-1107
ELECTRONIC TRANSPORT CALCULATION OF FINITE
Applied and Industrial Mathematics in Italy II: Selected Contributions from the 8th SIMAI Conference: Baia Samuele (Regusa), Italy, 22-26 May 2006 [World Scientific], Volume: 75 Pages: 422
Electron transport properties of calix [4] arene based systems in a metal–molecule–metal junction
New Journal of Chemistry [Royal Society of Chemistry], Volume: 31 Issue: 5 Pages: 756-761
Ultra-shallow junction by laser annealing: Integration issues and modelling
Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms [North-Holland], Volume: 253 Issue: 1-2 Pages: 1-8
Role of contact bonding on electronic transport in metal–carbon nanotube–metal systems
Nanotechnology [IOP Publishing], Volume: 17 Issue: 20 Pages: 5063
Fully solvent-free preparation of MAPbI3 films for photovoltaic application
Proceedings of International Conference on Hybrid and Organic Photovoltaics (HOPV19) [],
Multiscale Simulations of Plasma Etching in Silicon Carbide Structures
Materials Science Forum [Trans Tech Publications Ltd], Volume: 1062 Pages: 214-218
Computational Study of the Silicon Vacancy in 3C-SiC and Perspectives for Quantum Technologies
Materials Science Forum [Trans Tech Publications Ltd], Volume: 1062 Pages: 309-314
Comparing different solutions for testing resistive defects in low-power SRAMs
2021 IEEE 22nd Latin American Test Symposium (LATS) [IEEE], Pages: 1-6
2021 27th International Workshop on Thermal Investigations of ICs and Systems (THERMINIC) [IEEE], Pages: 1-6
Tailoring Active Defect Centers During the Growth of Group IV Crystals
Multidisciplinary Digital Publishing Institute Proceedings [], Volume: 12 Issue: 1 Pages: 32
LIAB: a FEniCS based computational tool for laser annaling simulation
2017 FEniCS conference [], Issue: 32
Atom by atom simulations of nano-materials processing
2016 IEEE Nanotechnology Materials and Devices Conference (NMDC) [IEEE], Pages: 1-2
Interfacial Disorder of Graphene Grown at High Temperatures on 4H-SiC (000-1)
Materials Science Forum [Trans Tech Publications Ltd], Volume: 858 Pages: 1129-1132
Materials Science Forum [Trans Tech Publications Ltd], Volume: 858 Pages: 1121-1124
Materials Science Forum [Trans Tech Publications Ltd], Volume: 858 Pages: 1125-1128
Materials Science Forum [Trans Tech Publications Ltd], Volume: 806 Pages: 103-107
Micro-Raman characterization of graphene grown on SiC (000-1)
2014 IEEE 9th Nanotechnology Materials and Devices Conference (NMDC) [IEEE], Pages: 15-18
Materials Science Forum [Trans Tech Publications Ltd], Volume: 740 Pages: 113-116
Continuum modeling and TCAD simulations of laser-related phenomena in CMOS applications
Laser Annealing Processes in Semiconductor Technology [Woodhead Publishing], Pages: 251-291
Nanoscale Electrical and Structural Properties of Epitaxial Graphene Interface with SiC (0001)
Epitaxial Graphene on Silicon Carbide [Pan Stanford], Pages: 123-154
Nanoscale electrical and structural properties of epitaxial graphene interface with sic (0001)
Epitaxial Graphene on Silicon Carbide [Jenny Stanford Publishing], Pages: 111-141
Nonequilibrium Steady States and Electron Transport in Molecular Systems
Correlations in Condensed Matter under Extreme Conditions [Springer, Cham], Pages: 127-150
A Comparison Between Quantum Transport and Band Structure Unfolding in Defected Graphene Nanoribbons
Correlations in Condensed Matter under Extreme Conditions [Springer, Cham], Pages: 185-194
Ab Initio Calculations and Kinetic Process Simulations of Nitrogen-Doped Graphene
GraphITA [Springer, Cham], Pages: 61-69
Electron Quantum Transport in Disordered Graphene
Scientific Computing in Electrical Engineering [Springer, Cham], Pages: 3-12
GraphITA 2011 [Springer, Berlin, Heidelberg], Pages: 51-56
Proceedings of E-MRS 2010 Symposium [],
Applied And Industrial Mathematics In Italy II [], Pages: 422-431