| 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 | 164 | 2009 |
| 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 | 133 | 2006 |
| 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 | 121 | 2010 |
| Fundamental studies and perceptions on the spillover mechanism for hydrogen storage GM Psofogiannakis, GE Froudakis Chemical Communications 47 (28), 7933-7943, 2011 | 119 | 2011 |
| 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 | 118 | 2009 |
| 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 | 104 | 2016 |
| 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 | 97 | 2015 |
| 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 | 72 | 2011 |
| 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 | 61 | 2014 |
| 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 | 45 | 2017 |
| Theoretical explanation of hydrogen spillover in metal− organic frameworks GM Psofogiannakis, GE Froudakis The Journal of Physical Chemistry C 115 (10), 4047-4053, 2011 | 45 | 2011 |
| 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 | 42 | 2016 |
| 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 | 35 | 2012 |
| 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 | 29 | 2013 |
| Comparative molecular dynamics study of fcc-Al hydrogen embrittlement O Verners, G Psofogiannakis, ACT van Duin Corrosion Science 98, 40-49, 2015 | 28 | 2015 |
| 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 | 23 | 2014 |
| 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 | 23 | 2011 |
| 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 | 21 | 2006 |
| Covalent adsorption of functional groups on [N]-carbophenes CE Junkermeier, G Psofogiannakis, R Paupitz Materials Research Express 9 (2), 025602, 2022 | 4 | 2022 |
| Mechanical properties and deformation-driven band gap tuning on [N]-Carbophenes GH Batista, G Psofogiannakis, CE Junkermeier, R Paupitz Computational Materials Science 222, 112103, 2023 | 2 | 2023 |
