Publications

2024

Journal articles

Kim, C-J.; Goudeli, E.; Ercole, F.; Ju, Y.; Gu, Y.; Xu, W.; Quinn, JF.; Caruso, F. (2024) “Particle Engineering via Supramolecular Assembly of Macroscopic Hydrophobic Building Blocks” Angewandte Chemie International Edition WILEY-V C H VERLAG GMBH. pp: -. DOI: 10.1002/anie.202315297

Kim, C.; Goudeli, E.; Ercole, F.; Ju, Y.; Gu, Y.; Xu, W.; Quinn, JF.; Caruso, F. (2024) “Particle Engineering via Supramolecular Assembly of Macroscopic Hydrophobic Building Blocks” Angewandte Chemie International Edition Wiley. pp: . DOI: 10.1002/ange.202315297

Schmalz, F.; Kopp, WA.; Goudeli, E.; Leonhard, K. (2024) “Reaction path identification and validation from molecular dynamics simulations of hydrocarbon pyrolysis” International Journal of Chemical Kinetics Wiley. pp: . DOI: 10.1002/kin.21719

Zeng, L.; Franks, GV.; Goudeli, E. (2024) “Aggregation and breakage dynamics of alumina particles under shear by coupled Computational Fluid Dynamics - Discrete Element Method.” Journal of Colloid and Interface Science Elsevier BV. pp: 750-760. DOI: 10.1016/j.jcis.2024.01.210

2023

Journal articles

Abdulelah, H.; Keshavarz, A.; Hoteit, H.; Abid, H.; Goudeli, E.; Ennis-king, J.; Iglauer, S. (2023) “Hydrogen physisorption in earth-minerals: Insights for hydrogen subsurface storage” Journal of Energy Storage Elsevier BV. pp: 1-9. DOI: 10.1016/j.est.2023.107440

Chaparro, D.; Goudeli, E. (2023) “Oxidation Rate and Crystallinity Dynamics of Silver Nanoparticles at High Temperatures” The Journal of Physical Chemistry C: Energy Conversion and Storage, Optical and Electronic Devices, Interfaces, Nanomaterials, and Hard Matter American Chemical Society (ACS). pp: 13389-13397. DOI: 10.1021/acs.jpcc.3c03163

Fronzi, M.; Ellis, A.; Goudeli, E. (2023) “Silicon-Based Anodes for Li Batteries: Thermodynamics, Structural Analysis, and Li Diffusion” The Journal of Physical Chemistry Letters AMER CHEMICAL SOC. pp: 10388-10395. DOI: 10.1021/acs.jpclett.3c02585

Pham, QH.; Goudeli, E.; Scholes, CA. (2023) “Selective separation of water and methanol from hydrogen and carbon dioxide at elevated temperature through polyimide and polyimidazole based membranes” Journal of Membrane Science Elsevier BV. pp: 121990-121990. DOI: 10.1016/j.memsci.2023.121990

Rahbar, H.; Goudeli, E.; Kholghy, MR. (2023) “Sintering Rate of Nickel Nanoparticles by Molecular Dynamics” The Journal of Physical Chemistry C American Chemical Society (ACS). pp: 6802-6812. DOI: 10.1021/acs.jpcc.2c07776

Song, J.; Berry, JD.; Goudeli, E. (2023) “Nucleation Rate of N2 and O2 in Cryogenic H2 and He” The Journal of Physical Chemistry B: Biophysical Chemistry, Biomaterials, Liquids, and Soft Matter AMER CHEMICAL SOC. pp: 9976-9984. DOI: 10.1021/acs.jpcb.3c03364

2022

Journal articles

El-okazy, MA.; Liu, L.; Abdellah, MH.; Goudeli, E.; Kentish, SE. (2022) “Gas sorption and diffusion in perfluoro(butenyl vinyl ether) based perfluoropolymeric membranes” Journal of Membrane Science ELSEVIER. pp: -. DOI: 10.1016/j.memsci.2021.120095

Guo, R.; Goudeli, E.; Xu, W.; Richardson, JJ.; Xu, W.; Pan, S. (2022) “Exploiting Molecular Dynamics in Composite Coatings to Design Robust Super-Repellent Surfaces” Advanced Science WILEY. pp: -. DOI: 10.1002/advs.202104331

Kim, C-J.; Ercole, F.; Goudeli, E.; Bhangu, SK.; Chen, J.; Faria, M.; Quinn, JF.; Caruso, F. (2022) “Engineering Programmable DNA Particles and Capsules Using Catechol-Functionalized DNA Block Copolymers” Chemistry of Materials AMER CHEMICAL SOC. pp: 7468-7480. DOI: 10.1021/acs.chemmater.2c01586

Mukut, KM.; Roy, S.; Goudeli, E. (2022) “Molecular arrangement and fringe identification and analysis from molecular dynamics (MAFIA-MD): A tool for analyzing the molecular structures formed during reactive molecular dynamics simulation of hydrocarbons” Computer Physics Communications ELSEVIER. pp: -. DOI: 10.1016/j.cpc.2022.108325

2021

Book chapters

Goudeli, E. (2021) “Mesoscale Modelling of Nanoparticle Formation”. Metal Oxide Nanoparticles. Wiley. pp: 711-734. DOI: 10.1002/9781119436782.ch20

Journal articles

Kelesidis, GA.; Goudeli, E. (2021) “Self-preserving size distribution and collision frequency of flame-made nanoparticles in the transition regime” Proceedings of the Combustion Institute ELSEVIER SCIENCE INC. pp: 1233-1240. DOI: 10.1016/j.proci.2020.07.147

Pan, S.; Goudeli, E.; Chen, J.; Lin, Z.; Zhong, Q-Z.; Zhang, W.; Yu, H.; Guo, R.; Richardson, JJ.; Caruso, F. (2021) “Exploiting Supramolecular Dynamics in Metal-Phenolic Networks to Generate Metal-Oxide and Metal-Carbon Networks” Angewandte Chemie International Edition WILEY-V C H VERLAG GMBH. pp: 14586-14594. DOI: 10.1002/anie.202103044

Sharma, A.; Mukut, KM.; Roy, SP.; Goudeli, E. (2021) “The coalescence of incipient soot clusters” Carbon PERGAMON-ELSEVIER SCIENCE LTD. pp: 215-225. DOI: 10.1016/j.carbon.2021.04.065

Shepelin, NA.; Sherrell, PC.; Skountzos, EN.; Goudeli, E.; Zhang, J.; Lussini, VC.; Imtiaz, B.; Usman, KAS.; Dicinoski, GW.; Shapter, JG.; Razal, JM.; Ellis, A. (2021) “Interfacial piezoelectric polarization locking in printable Ti3C2Tx MXene-fluoropolymer composites” Nature Communications NATURE RESEARCH. pp: -. DOI: 10.1038/s41467-021-23341-3

2020

Book chapters

Goudeli, E. (2020) “Formation and growth of fractal-like agglomerates and aggregates in the gas phase”. Grammatikopoulos, P. (Ed.) Frontiers of Nanoscience. Netherlands. Elsevier. pp: 41-60. DOI: 10.1016/B978-0-12-821495-4.00004-X

Journal articles

Eggersdorfer, ML.; Goudeli, E. (2020) “Structure and dynamics of fractal-like particles made by agglomeration and sintering” AIChE Journal Wiley. pp: -. DOI: 10.1002/aic.17099

Goudeli, E.; Lee, J.; Hogan, CJ. (2020) “Silica nanocluster binding rate coefficients from molecular dynamics trajectory calculations” Journal of Aerosol Science Elsevier. pp: -. DOI: 10.1016/j.jaerosci.2020.105558

Pan, S.; Guo, R.; Bertleff-zieschang, N.; Li, S.; Besford, QA.; Zhong, Q-Z.; Yun, G.; Zhang, Y.; Cavalieri, F.; Ju, Y.; Goudeli, E.; Richardson, JJ.; Caruso, F. (2020) “Modular Assembly of Host-Guest Metal-Phenolic Networks Using Macrocyclic Building Blocks” Angewandte Chemie International Edition Wiley. pp: 275-280. DOI: 10.1002/anie.201912296

Shepelin, NA.; Sherrell, PC.; Goudeli, E.; Skountzos, EN.; Lussini, VC.; Dicinoski, GW.; Shapter, JG.; Ellis, AV. (2020) “Printed recyclable and self-poled polymer piezoelectric generators through single-walled carbon nanotube templating” Energy and Environmental Science Royal Society of Chemistry. pp: 868-883. DOI: 10.1039/C9EE03059J

2019

Journal articles

Goudeli, E. (2019) “Nanoparticle growth, coalescence, and phase change in the gas-phase by molecular dynamics” Current Opinion in Chemical Engineering ELSEVIER SCI LTD. pp: 155-163. DOI: 10.1016/j.coche.2019.04.001

Liu, B.; Ranji-burachaloo, H.; Gurr, PA.; Goudeli, E.; Qiao, GG. (2019) “A nontoxic reversible thermochromic binary system via pi-pi stacking of sulfonephthaleins” Journal of Materials Chemistry C Cambridge, United Kingdom. Royal Society of Chemistry. pp: 9335-9345. DOI: 10.1039/c9tc02071c

2018

Journal articles

Spyrogianni, A.; Karadima, KS.; Goudeli, E.; Mavrantzas, VG.; Pratsinis, SE. (2018) “Mobility and settling rate of agglomerates of polydisperse nanoparticles” The Journal of Chemical Physics AIP Publishing. pp: -. DOI: 10.1063/1.5012037

Yang, H.; Goudeli, E.; Hogan, CJ. (2018) “Condensation and dissociation rates for gas phase metal clusters from molecular dynamics trajectory calculations” The Journal of Chemical Physics AMER INST PHYSICS. pp: -. DOI: 10.1063/1.5026689

2017

Journal articles

Goudeli, E.; Pratsinis, SE. (2017) “Surface Composition and Crystallinity of Coalescing Silver-Gold Nanoparticles” ACS Nano AMER CHEMICAL SOC. pp: 11653-11660. DOI: 10.1021/acsnano.7b06727

Kelesidis, GA.; Goudeli, E.; Pratsinis, SE. (2017) “Flame synthesis of functional nanostructured materials and devices: Surface growth and aggregation” Proceedings of the Combustion Institute ELSEVIER SCIENCE INC. pp: 29-50. DOI: 10.1016/j.proci.2016.08.078

Kelesidis, GA.; Goudeli, E.; Pratsinis, SE. (2017) “Morphology and mobility diameter of carbonaceous aerosols during agglomeration and surface growth” Carbon PERGAMON-ELSEVIER SCIENCE LTD. pp: 527-535. DOI: 10.1016/j.carbon.2017.06.004

Conference Papers

Kelesidis, GA.; Furrer, FM.; Goudeli, E.; Eggersdorfer, ML.; Wegner, K.; Pratsinis, SE. (2017) “Control of particle structure and size distribution by humidity” pp: 292-.

2016

Journal articles

Goudeli, E.; Eggersdorfer, ML.; Pratsinis, SE. (2016) “Coagulation of Agglomerates Consisting of Polydisperse Primary Particles” Langmuir AMER CHEMICAL SOC. pp: 9276-9285. DOI: 10.1021/acs.langmuir.6b02455

Goudeli, E.; Grohn, AJ.; Pratsinis, SE. (2016) “Sampling and dilution of nanoparticles at high temperature” Aerosol Science and Technology TAYLOR & FRANCIS INC. pp: 591-604. DOI: 10.1080/02786826.2016.1168922

Goudeli, E.; Pratsinis, SE. (2016) “Crystallinity dynamics of gold nanoparticles during sintering or coalescence” AIChE Journal WILEY-BLACKWELL. pp: 589-598. DOI: 10.1002/aic.15125

Goudeli, E.; Pratsinis, SE. (2016) “Gas-phase manufacturing of nanoparticles: Molecular dynamics and mesoscale simulations” Particulate Science And Technology TAYLOR & FRANCIS INC. pp: 483-493. DOI: 10.1080/02726351.2016.1138263

Conference Papers

Goudeli, E.; Pratsinis, SE. (2016) “Multiscale design of nanomaterial synthesis” pp: 152-154.

2015

Journal articles

Goudeli, E.; Eggersdorfer, ML.; Pratsinis, SE. (2015) “Coagulation-Agglomeration of Fractal-like Particles: Structure and Self-Preserving Size Distribution” Langmuir AMER CHEMICAL SOC. pp: 1320-1327. DOI: 10.1021/la504296z

Goudeli, E.; Eggersdorfer, ML.; Pratsinis, SE. (2015) “Aggregate characteristics accounting for the evolving fractal-like structure during coagulation and sintering” Journal of Aerosol Science ELSEVIER SCI LTD. pp: 58-68. DOI: 10.1016/j.jaerosci.2015.06.008