Giannis Mpourmpakis - Publications

Chemical Engineering University of Pittsburgh, Pittsburgh, PA, United States 
Computational Chemistry

49 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2021 Li S, Nagarajan AV, Li Y, Kauffman DR, Mpourmpakis G, Jin R. The role of ligands in atomically precise nanocluster-catalyzed CO electrochemical reduction. Nanoscale. PMID 33464267 DOI: 10.1039/d0nr07832h  1
2021 McKay J, Cowan MJ, Morales-Rivera CA, Mpourmpakis G. Predicting ligand removal energetics in thiolate-protected nanoclusters from molecular complexes. Nanoscale. PMID 33449990 DOI: 10.1039/d0nr07839e  0.64
2020 Li W, Taylor MG, Bayerl D, Mozaffari S, Dixit M, Ivanov S, Seifert S, Lee B, Shanaiah N, Lu Y, Kovarik L, Mpourmpakis G, Karim AM. Solvent manipulation of the pre-reduction metal-ligand complex and particle-ligand binding for controlled synthesis of Pd nanoparticles. Nanoscale. PMID 33325939 DOI: 10.1039/d0nr06078j  1
2020 Li Y, Taylor MG, Luo TY, Song Y, Rosi NL, Mpourmpakis G, Jin R. Heteroatom Tracing Reveals the 30-Atom Au-Ag Bimetallic Nanocluster as a Dimeric Structure. The Journal of Physical Chemistry Letters. PMID 32787300 DOI: 10.1021/acs.jpclett.0c01977  1
2020 Cowan MJ, Mpourmpakis G. Towards elucidating structure of ligand-protected nanoclusters. Dalton Transactions (Cambridge, England : 2003). 49: 9191-9202. PMID 32678402 DOI: 10.1039/d0dt01418d  0.64
2020 Dean J, Cowan MJ, Estes J, Ramadan M, Mpourmpakis G. Rapid Prediction of Bimetallic Mixing Behavior at the Nanoscale. Acs Nano. PMID 32515581 DOI: 10.1021/acsnano.0c01586  0.64
2020 Li Y, Juarez-Mosqueda R, Song Y, Zhang Y, Chai J, Mpourmpakis G, Jin R. Ligand exchange on Au(SR): substituent site effects of aromatic thiols. Nanoscale. PMID 32323691 DOI: 10.1039/d0nr01430c  1
2020 Li Y, Cowan MJ, Zhou M, Taylor MG, Wang H, Song Y, Mpourmpakis G, Jin R. Heterometal-Doped M23 (M=Au/Ag/Cd) Nanoclusters with Large Dipole Moments. Acs Nano. PMID 32286795 DOI: 10.1021/acsnano.0c01000  1
2019 Dean J, Taylor MG, Mpourmpakis G. Unfolding adsorption on metal nanoparticles: Connecting stability with catalysis. Science Advances. 5: eaax5101. PMID 31548989 DOI: 10.1126/sciadv.aax5101  1
2018 Cholewinski MC, Dixit M, Mpourmpakis G. Computational Study of Methane Activation on γ-AlO. Acs Omega. 3: 18242-18250. PMID 31458402 DOI: 10.1021/acsomega.8b02554  1
2018 Taylor MG, Mpourmpakis G. Rethinking Heterometal Doping in Ligand-Protected Metal Nanoclusters. The Journal of Physical Chemistry Letters. PMID 30365319 DOI: 10.1021/acs.jpclett.8b02679  1
2018 Yan Z, Taylor MG, Mascareno A, Mpourmpakis G. Size, Shape and Composition Dependent Model for Metal Nanoparticle Stability Prediction. Nano Letters. PMID 29578341 DOI: 10.1021/acs.nanolett.8b00670  1
2018 Austin N, Kostetskyy P, Mpourmpakis G. Design of highly selective ethanol dehydration nanocatalysts for ethylene production. Nanoscale. PMID 29424847 DOI: 10.1039/c7nr08678d  1
2018 Dean J, Yang Y, Austin N, Veser G, Mpourmpakis G. Designing Cu-based Bimetallic Nanoparticles for CO2 Adsorption and Activation. Chemsuschem. PMID 29377637 DOI: 10.1002/cssc.201702342  1
2017 Kallitsakis MG, Tancini PD, Dixit M, Mpourmpakis G, Lykakis IN. Mechanistic studies on the Michael addition of amines and hydrazines to nitrostyrenes: Nitroalkane elimination via a retro-aza-Henry type process. The Journal of Organic Chemistry. PMID 29272119 DOI: 10.1021/acs.joc.7b02637  1
2017 Li Q, Lambright KJ, Taylor MG, Kirschbaum K, Luo TY, Zhao J, Mpourmpakis G, Mokashi-Punekar S, Rosi NL, Jin R. Reconstructing the Surface of Gold Nanoclusters by Cadmium Doping. Journal of the American Chemical Society. 139: 17779-17782. PMID 29182284 DOI: 10.1021/jacs.7b11491  1
2017 Taylor MG, Mpourmpakis G. Thermodynamic stability of ligand-protected metal nanoclusters. Nature Communications. 8: 15988. PMID 28685777 DOI: 10.1038/ncomms15988  1
2017 Li Q, Taylor MG, Kirschbaum K, Lambright KJ, Zhu X, Mpourmpakis G, Jin R. Site-selective substitution of gold atoms in the Au24(SR)20 nanocluster by silver. Journal of Colloid and Interface Science. PMID 28651820 DOI: 10.1016/j.jcis.2017.06.049  1
2017 Li Q, Luo TY, Taylor MG, Wang S, Zhu X, Song Y, Mpourmpakis G, Rosi NL, Jin R. Molecular "surgery" on a 23-gold-atom nanoparticle. Science Advances. 3: e1603193. PMID 28560348 DOI: 10.1126/sciadv.1603193  1
2017 Porosoff MD, Baldwin JW, Peng X, Mpourmpakis G, Willauer HD. Potassium-promoted molybdenum carbide as a highly active and selective catalyst for CO2 conversion to CO. Chemsuschem. PMID 28426923 DOI: 10.1002/cssc.201700412  0.01
2016 Chung J, Granja I, Taylor MG, Mpourmpakis G, Asplin JR, Rimer JD. Molecular modifiers reveal a mechanism of pathological crystal growth inhibition. Nature. 1-5. PMID 27501150 DOI: 10.1038/nature19062  1
2016 Teixeira IF, Lo BT, Kostetskyy P, Stamatakis M, Ye L, Tang CC, Mpourmpakis G, Tsang SC. From Biomass-Derived Furans to Aromatics with Ethanol over Zeolite. Angewandte Chemie (International Ed. in English). PMID 27490584 DOI: 10.1002/anie.201604108  1
2015 Marbella LE, Chevrier DM, Tancini PD, Shobayo O, Smith AM, Johnston KA, Andolina CM, Zhang P, Mpourmpakis G, Millstone JE. Description and Role of Bimetallic Prenucleation Species in the Formation of Small Nanoparticle Alloys. Journal of the American Chemical Society. PMID 26670347 DOI: 10.1021/jacs.5b10124  1
2015 Taylor MG, Austin N, Gounaris CE, Mpourmpakis G. Catalyst Design Based on Morphology- and Environment-Dependent Adsorption on Metal Nanoparticles Acs Catalysis. 5: 6296-6301. DOI: 10.1021/acscatal.5b01696  1
2015 Austin N, Johnson JK, Mpourmpakis G. Au13: CO Adsorbs, Nanoparticle Responds Journal of Physical Chemistry C. 119: 18196-18202. DOI: 10.1021/acs.jpcc.5b03459  1
2014 Andriotis AN, Mpourmpakis G, Broderick S, Rajan K, Datta S, Sunkara M, Menon M. Informatics guided discovery of surface structure-chemistry relationships in catalytic nanoparticles. The Journal of Chemical Physics. 140: 094705. PMID 24606374 DOI: 10.1063/1.4867010  1
2014 Herrmann S, Stamatakis M, Andriotis AN, Mpourmpakis G. Adsorption behavior of noble metal clusters and their alloys Journal of Computational and Theoretical Nanoscience. 11: 511-520. DOI: 10.1166/jctn.2014.3387  1
2014 Kostestkyy P, Yu J, Gorte RJ, Mpourmpakis G. Structure-activity relationships on metal-oxides: Alcohol dehydration Catalysis Science and Technology. 4: 3861-3869. DOI: 10.1039/c4cy00632a  1
2013 Feng S, Bagia C, Mpourmpakis G. Determination of proton affinities and acidity constants of sugars. The Journal of Physical Chemistry. A. 117: 5211-9. PMID 23706015 DOI: 10.1021/jp403355e  0.2
2013 Wang T, Mpourmpakis G, Lonergan WW, Vlachos DG, Chen JG. Effect of oxide supports in stabilizing desirable Pt-Ni bimetallic structures for hydrogenation and reforming reactions. Physical Chemistry Chemical Physics : Pccp. 15: 12156-64. PMID 23689424 DOI: 10.1039/c3cp44688c  1
2012 Stamatakis M, Christiansen MA, Vlachos DG, Mpourmpakis G. Multiscale modeling reveals poisoning mechanisms of MgO-supported Au clusters in CO oxidation. Nano Letters. 12: 3621-6. PMID 22668206 DOI: 10.1021/nl301318b  1
2012 Roy S, Mpourmpakis G, Hong DY, Vlachos DG, Bhan A, Gorte RJ. Mechanistic study of alcohol dehydration on γ-Al 2O 3 Acs Catalysis. 2: 1846-1853. DOI: 10.1021/cs300176d  1
2012 Courtney TD, Nikolakis V, Mpourmpakis G, Chen JG, Vlachos DG. Liquid-phase dehydration of propylene glycol using solid-acid catalysts Applied Catalysis a: General. 449: 59-68. DOI: 10.1016/j.apcata.2012.09.034  1
2011 Mpourmpakis G, Velegrakis M, Mihesan C, Andriotis AN. Symmetry-switching molecular Fe(O2)n(+) clusters. The Journal of Physical Chemistry. A. 115: 7456-60. PMID 21615142 DOI: 10.1021/jp204478v  1
2010 Mpourmpakis G, Caratzoulas S, Vlachos DG. What controls au nanoparticle dispersity during growth? Nano Letters. 10: 3408-13. PMID 20718479 DOI: 10.1021/nl101421q  1
2010 Mpourmpakis G, Andriotis AN, Vlachos DG. Identification of descriptors for the CO interaction with metal nanoparticles. Nano Letters. 10: 1041-5. PMID 20151700 DOI: 10.1021/nl904299c  1
2009 Karim AM, Prasad V, Mpourmpakis G, Lonergan WW, Frenkel AI, Chen JG, Vlachos DG. Correlating particle size and shape of supported Ru/gamma-Al2O3 catalysts with NH3 decomposition activity. Journal of the American Chemical Society. 131: 12230-9. PMID 19663478 DOI: 10.1021/ja902587k  1
2009 Mpourmpakis G, Vlachos DG. Growth mechanisms of metal nanoparticles via first principles. Physical Review Letters. 102: 155505. PMID 19518650 DOI: 10.1103/PhysRevLett.102.155505  1
2008 Mpourmpakis G, Froudakis GE. Assessing the density functional theory in the hydrogen storage problem. Journal of Nanoscience and Nanotechnology. 8: 3091-6. PMID 18681051  1
2008 Mpourmpakis G, Vlachos DG. Insights into the early stages of metal nanoparticle formation via first-principle calculations: the roles of citrate and water. Langmuir : the Acs Journal of Surfaces and Colloids. 24: 7465-73. PMID 18549294 DOI: 10.1021/la800135s  1
2008 Andriotis AN, Mpourmpakis G, Richter E, Menon M. Surface conductivity of hydrogenated diamond films. Physical Review Letters. 100: 106801. PMID 18352217 DOI: 10.1103/PhysRevLett.100.106801  1
2007 Mpourmpakis G, Tylianakis E, Froudakis GE. Carbon nanoscrolls: a promising material for hydrogen storage. Nano Letters. 7: 1893-7. PMID 17580924 DOI: 10.1021/nl070530u  1
2007 Mpourmpakis G, Froudakis GE, Lithoxoos GP, Samios J. Effect of curvature and chirality for hydrogen storage in single-walled carbon nanotubes: a combined ab initio and Monte Carlo investigation. The Journal of Chemical Physics. 126: 144704. PMID 17444729 DOI: 10.1063/1.2717170  1
2006 Mpourmpakis G, Tylianakis E, Papanikolaou D, Froudakis GE. A multi scale theoretical study of Li+ interaction with carbon nanotubes. Journal of Nanoscience and Nanotechnology. 6: 3731-5. PMID 17256322 DOI: 10.1166/jnn.2006.611  1
2006 Mpourmpakis G, Froudakis G. Why alkali metals preferably bind on structural defects of carbon nanotubes: a theoretical study by first principles. The Journal of Chemical Physics. 125: 204707. PMID 17144723 DOI: 10.1063/1.2397679  1
2006 Mpourmpakis G, Froudakis GE, Lithoxoos GP, Samios J. SiC nanotubes: A novel material for hydrogen storage. Nano Letters. 6: 1581-3. PMID 16895338 DOI: 10.1021/nl0603911  1
2006 Mpourmpakis G, Tylianakis E, Froudakis G. Hydrogen storage in carbon nanotubes: a multi-scale theoretical study. Journal of Nanoscience and Nanotechnology. 6: 87-90. PMID 16573075  1
2004 Andriotis AN, Mpourmpakis G, Froudakis GE, Menon M. Magnetic enhancement and magnetic reduction in binary clusters of transition metal atoms. The Journal of Chemical Physics. 120: 11901-4. PMID 15268224 DOI: 10.1063/1.1752878  1
2003 Stratakis M, Rabalakos C, Mpourmpakis G, Froudakis GE. Ene hydroperoxidation of isobutenylarenes within dye-exchanged zeolite Na-Y: control of site selectivity by cation-arene interactions. The Journal of Organic Chemistry. 68: 2839-43. PMID 12662060 DOI: 10.1021/jo020599g  1
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