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George Psofogiannakis
George Psofogiannakis
Verified email at uottawa.ca
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Cited by
Cited by
Year
DFT study of the hydrogen spillover mechanism on Pt-doped graphite
GM Psofogiannakis, GE Froudakis
The Journal of Physical Chemistry C 113 (33), 14908-14915, 2009
1632009
Methane oxidation mechanism on Pt (111): a cluster model DFT study
G Psofogiannakis, A St-Amant, M Ternan
The Journal of Physical Chemistry B 110 (48), 24593-24605, 2006
1332006
Li-doped pillared graphene oxide: a graphene-based nanostructured material for hydrogen storage
E Tylianakis, GM Psofogiannakis, GE Froudakis
The Journal of Physical Chemistry Letters 1 (16), 2459-2464, 2010
1202010
Fundamental studies and perceptions on the spillover mechanism for hydrogen storage
GM Psofogiannakis, GE Froudakis
Chemical Communications 47 (28), 7933-7943, 2011
1192011
DFT study of hydrogen storage by spillover on graphite with oxygen surface groups
GM Psofogiannakis, GE Froudakis
Journal of the American Chemical Society 131 (42), 15133-15135, 2009
1182009
Atomic insight into tribochemical wear mechanism of silicon at the Si/SiO2 interface in aqueous environment: Molecular dynamics simulations using ReaxFF reactive force field
J Wen, T Ma, W Zhang, G Psofogiannakis, ACT van Duin, L Chen, L Qian, ...
Applied Surface Science 390, 216-223, 2016
1032016
ReaxFF reactive molecular dynamics simulation of the hydration of Cu-SSZ-13 zeolite and the formation of Cu dimers
GM Psofogiannakis, JF McCleerey, E Jaramillo, ACT Van Duin
The Journal of Physical Chemistry C 119 (12), 6678-6686, 2015
962015
Enhanced hydrogen storage by spillover on metal-doped carbon foam: an experimental and computational study
GM Psofogiannakis, TA Steriotis, AB Bourlinos, EP Kouvelos, ...
Nanoscale 3 (3), 933-936, 2011
722011
Reactive molecular simulations of protonation of water clusters and depletion of acidity in H-ZSM-5 zeolite
KL Joshi, G Psofogiannakis, ACT Van Duin, S Raman
Physical Chemistry Chemical Physics 16 (34), 18433-18441, 2014
602014
Theoretical explanation of hydrogen spillover in metal− organic frameworks
GM Psofogiannakis, GE Froudakis
The Journal of Physical Chemistry C 115 (10), 4047-4053, 2011
452011
Modeling and in situ probing of surface reactions in atomic layer deposition
Y Zheng, S Hong, G Psofogiannakis, GB Rayner Jr, S Datta, ...
ACS applied materials & interfaces 9 (18), 15848-15856, 2017
432017
Development of a ReaxFF reactive force field for Si/Ge/H systems and application to atomic hydrogen bombardment of Si, Ge, and SiGe (100) surfaces
G Psofogiannakis, ACT Van Duin
Surface Science 646, 253-260, 2016
422016
Computational prediction of new hydrocarbon materials: The hydrogenated forms of graphdiyne
GM Psofogiannakis, GE Froudakis
The Journal of Physical Chemistry C 116 (36), 19211-19214, 2012
352012
Atomic hydrogen diffusion on doped and chemically modified graphene
AD Lueking, G Psofogiannakis, GE Froudakis
The Journal of Physical Chemistry C 117 (12), 6312-6319, 2013
292013
Comparative molecular dynamics study of fcc-Al hydrogen embrittlement
O Verners, G Psofogiannakis, ACT van Duin
Corrosion Science 98, 40-49, 2015
282015
Hydrogen storage with spectroscopic identification of chemisorption sites in Cu-TDPAT via spillover from a Pt/activated carbon catalyst
CY Wang, JL Gray, Q Gong, Y Zhao, J Li, E Klontzas, G Psofogiannakis, ...
The Journal of Physical Chemistry C 118 (46), 26750-26763, 2014
232014
Ab-Initio Study of the Adsorption and Separation of NOx and SOx Gases in Functionalized IRMOF Ligands
KA Fioretos, GM Psofogiannakis, GE Froudakis
The Journal of Physical Chemistry C 115 (50), 24906-24914, 2011
232011
Mathematical model for a direct propane phosphoric acid fuel cell
G Psofogiannakis, Y Bourgault, BE Conway, M Ternan
Journal of applied electrochemistry 36, 115-130, 2006
212006
Covalent adsorption of functional groups on [N]-carbophenes
CE Junkermeier, G Psofogiannakis, R Paupitz
Materials Research Express 9 (2), 025602, 2022
32022
α-Al2O3 nanoslab fracture and fatigue behavior
O Verners, G Psofogiannakis, ACT Van Duin
Computational Materials Science 103, 38-44, 2015
22015
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