Advanced Search
Display options
Filter resources
Text Availability
Article type
Publication date
Species
Language
Sex
Age
Showing 1 to 12 of 42 entries
Sorted by: Best Match Show Resources per page
From Biomass-Derived Furans to Aromatics with Ethanol over Zeolite.

Angewandte Chemie (International ed. in English)

Teixeira IF, Lo BT, Kostetskyy P, Stamatakis M, Ye L, Tang CC, Mpourmpakis G, Tsang SC.
PMID: 27490584
Angew Chem Int Ed Engl. 2016 Oct 10;55(42):13061-13066. doi: 10.1002/anie.201604108.

We report a novel catalytic conversion of biomass-derived furans and alcohols to aromatics over zeolite catalysts. Aromatics are formed via Diels-Alder cycloaddition with ethylene, which is produced in situ from ethanol dehydration. The use of liquid ethanol instead of...

Cite
Teixeira IF, Lo BT, Kostetskyy P, et al. From Biomass-Derived Furans to Aromatics with Ethanol over Zeolite. Angew Chem Int Ed Engl. 2016;55(42):13061-13066doi: 10.1002/anie.201604108.
Teixeira, I. F., Lo, B. T., Kostetskyy, P., Stamatakis, M., Ye, L., Tang, C. C., Mpourmpakis, G., & Tsang, S. C. (2016). From Biomass-Derived Furans to Aromatics with Ethanol over Zeolite. Angewandte Chemie (International ed. in English), 55(42), 13061-13066. https://doi.org/10.1002/anie.201604108
Teixeira, Ivo F, et al. "From Biomass-Derived Furans to Aromatics with Ethanol over Zeolite." Angewandte Chemie (International ed. in English) vol. 55,42 (2016): 13061-13066. doi: https://doi.org/10.1002/anie.201604108
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. Angew Chem Int Ed Engl. 2016 Oct 10;55(42):13061-13066. doi: 10.1002/anie.201604108. PMID: 27490584.
Copy Download .nbib Format: NLM
Ene hydroperoxidation of isobutenylarenes within dye-exchanged zeolite Na-Y: control of site selectivity by cation-arene interactions.

The Journal of organic chemistry

Stratakis M, Rabalakos C, Mpourmpakis G, Froudakis GE.
PMID: 12662060
J Org Chem. 2003 Apr 04;68(7):2839-43. doi: 10.1021/jo020599g.

The site selectivity in the singlet oxygen ene reaction of several deuterium-labeled isobutenylarenes depends on the position and the electronic nature of the aryl substitutents. For example, 1-(4-trifluoromethylphenyl)-2-methylpropene gives 82% twin selectivity whereas the isomeric 1-(2-trifluoromethylphenyl)-2-methylpropene gives 68% twix...

Cite
Stratakis M, Rabalakos C, Mpourmpakis G, et al. Ene hydroperoxidation of isobutenylarenes within dye-exchanged zeolite Na-Y: control of site selectivity by cation-arene interactions. J Org Chem. 2003;68(7):2839-43doi: 10.1021/jo020599g.
Stratakis, M., Rabalakos, C., Mpourmpakis, G., & Froudakis, G. E. (2003). Ene hydroperoxidation of isobutenylarenes within dye-exchanged zeolite Na-Y: control of site selectivity by cation-arene interactions. The Journal of organic chemistry, 68(7), 2839-43. https://doi.org/10.1021/jo020599g
Stratakis, Manolis, et al. "Ene hydroperoxidation of isobutenylarenes within dye-exchanged zeolite Na-Y: control of site selectivity by cation-arene interactions." The Journal of organic chemistry vol. 68,7 (2003): 2839-43. doi: https://doi.org/10.1021/jo020599g
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. J Org Chem. 2003 Apr 04;68(7):2839-43. doi: 10.1021/jo020599g. PMID: 12662060.
Copy Download .nbib Format: NLM
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

Mpourmpakis G, Froudakis GE, Lithoxoos GP, Samios J.
PMID: 17444729
J Chem Phys. 2007 Apr 14;126(14):144704. doi: 10.1063/1.2717170.

Combined ab initio and grand canonical Monte Carlo simulations have been performed to investigate the dependence of hydrogen storage in single-walled carbon nanotubes (SWCNTs) on both tube curvature and chirality. The ab initio calculations at the density functional level...

Cite
Mpourmpakis G, Froudakis GE, Lithoxoos GP, et al. Effect of curvature and chirality for hydrogen storage in single-walled carbon nanotubes: a combined ab initio and Monte Carlo investigation. J Chem Phys. 2007;126(14):144704doi: 10.1063/1.2717170.
Mpourmpakis, G., Froudakis, G. E., Lithoxoos, G. P., & Samios, J. (2007). 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(14), 144704. https://doi.org/10.1063/1.2717170
Mpourmpakis, Giannis, et al. "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 vol. 126,14 (2007): 144704. doi: https://doi.org/10.1063/1.2717170
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. J Chem Phys. 2007 Apr 14;126(14):144704. doi: 10.1063/1.2717170. PMID: 17444729.
Copy Download .nbib Format: NLM
Assessing the density functional theory in the hydrogen storage problem.

Journal of nanoscience and nanotechnology

Mpourmpakis G, Froudakis GE.
PMID: 18681051
J Nanosci Nanotechnol. 2008 Jun;8(6):3091-6. doi: 10.1166/jnn.2008.107.

A variety of high and low level ab-initio calculations have been performed to calculate hydrogen's physisorption binding energy on carbon nanotube's walls. This study focuses on the performance of several functionals on treating the H2-carbon nanotube interaction within the...

Cite
Mpourmpakis G, Froudakis GE. Assessing the density functional theory in the hydrogen storage problem. J Nanosci Nanotechnol. 2008;8(6):3091-6doi: 10.1166/jnn.2008.107.
Mpourmpakis, G., & Froudakis, G. E. (2008). Assessing the density functional theory in the hydrogen storage problem. Journal of nanoscience and nanotechnology, 8(6), 3091-6. https://doi.org/10.1166/jnn.2008.107
Mpourmpakis, Giannis, and Froudakis, George E. "Assessing the density functional theory in the hydrogen storage problem." Journal of nanoscience and nanotechnology vol. 8,6 (2008): 3091-6. doi: https://doi.org/10.1166/jnn.2008.107
Mpourmpakis G, Froudakis GE. Assessing the density functional theory in the hydrogen storage problem. J Nanosci Nanotechnol. 2008 Jun;8(6):3091-6. doi: 10.1166/jnn.2008.107. PMID: 18681051.
Copy Download .nbib Format: NLM
Computational Study of Methane Activation on γ-Al.

ACS omega

Cholewinski MC, Dixit M, Mpourmpakis G.
PMID: 31458402
ACS Omega. 2018 Dec 26;3(12):18242-18250. doi: 10.1021/acsomega.8b02554. eCollection 2018 Dec 31.

The C-H activation of methane remains a longstanding challenge in the chemical industry. Metal oxides are attractive catalysts for the C-H activation of methane due to their surface Lewis acid-base properties. In this work, we applied density functional theory...

Cite
Cholewinski MC, Dixit M, Mpourmpakis G. Computational Study of Methane Activation on γ-Al. ACS Omega. 2018;3(12):18242-18250doi: 10.1021/acsomega.8b02554.
Cholewinski, M. C., Dixit, M., & Mpourmpakis, G. (2018). Computational Study of Methane Activation on γ-Al. ACS omega, 3(12), 18242-18250. https://doi.org/10.1021/acsomega.8b02554
Cholewinski, Mitchell C, et al. "Computational Study of Methane Activation on γ-Al." ACS omega vol. 3,12 (2018): 18242-18250. doi: https://doi.org/10.1021/acsomega.8b02554
Cholewinski MC, Dixit M, Mpourmpakis G. Computational Study of Methane Activation on γ-Al. ACS Omega. 2018 Dec 26;3(12):18242-18250. doi: 10.1021/acsomega.8b02554. eCollection 2018 Dec 31. PMID: 31458402; PMCID: PMC6644128.
Copy Download .nbib Format: NLM
Design of Copper-Based Bimetallic Nanoparticles for Carbon Dioxide Adsorption and Activation.

ChemSusChem

Dean J, Yang Y, Austin N, Veser G, Mpourmpakis G.
PMID: 29377637
ChemSusChem. 2018 Apr 09;11(7):1169-1178. doi: 10.1002/cssc.201702342. Epub 2018 Feb 28.

Cu-based nanoparticles (NPs) are promising candidates for the catalytic hydrogenation of CO

Cite
Dean J, Yang Y, Austin N, et al. Design of Copper-Based Bimetallic Nanoparticles for Carbon Dioxide Adsorption and Activation. ChemSusChem. 2018;11(7):1169-1178doi: 10.1002/cssc.201702342.
Dean, J., Yang, Y., Austin, N., Veser, G., & Mpourmpakis, G. (2018). Design of Copper-Based Bimetallic Nanoparticles for Carbon Dioxide Adsorption and Activation. ChemSusChem, 11(7), 1169-1178. https://doi.org/10.1002/cssc.201702342
Dean, James, et al. "Design of Copper-Based Bimetallic Nanoparticles for Carbon Dioxide Adsorption and Activation." ChemSusChem vol. 11,7 (2018): 1169-1178. doi: https://doi.org/10.1002/cssc.201702342
Dean J, Yang Y, Austin N, Veser G, Mpourmpakis G. Design of Copper-Based Bimetallic Nanoparticles for Carbon Dioxide Adsorption and Activation. ChemSusChem. 2018 Apr 09;11(7):1169-1178. doi: 10.1002/cssc.201702342. Epub 2018 Feb 28. PMID: 29377637.
Copy Download .nbib Format: NLM
Thermodynamic stability of ligand-protected metal nanoclusters.

Nature communications

Taylor MG, Mpourmpakis G.
PMID: 28685777
Nat Commun. 2017 Jul 07;8:15988. doi: 10.1038/ncomms15988.

Despite the great advances in synthesis and structural determination of atomically precise, thiolate-protected metal nanoclusters, our understanding of the driving forces for their colloidal stabilization is very limited. Currently there is a lack of models able to describe the...

Cite
Taylor MG, Mpourmpakis G. Thermodynamic stability of ligand-protected metal nanoclusters. Nat Commun. 2017;8:15988doi: 10.1038/ncomms15988.
Taylor, M. G., & Mpourmpakis, G. (2017). Thermodynamic stability of ligand-protected metal nanoclusters. Nature communications, 815988. https://doi.org/10.1038/ncomms15988
Taylor, Michael G, and Mpourmpakis, Giannis. "Thermodynamic stability of ligand-protected metal nanoclusters." Nature communications vol. 8 (2017): 15988. doi: https://doi.org/10.1038/ncomms15988
Taylor MG, Mpourmpakis G. Thermodynamic stability of ligand-protected metal nanoclusters. Nat Commun. 2017 Jul 07;8:15988. doi: 10.1038/ncomms15988. PMID: 28685777; PMCID: PMC5504301.
Copy Download .nbib Format: NLM
Reconstructing the Surface of Gold Nanoclusters by Cadmium Doping.

Journal of the American Chemical Society

Li Q, Lambright KJ, Taylor MG, Kirschbaum K, Luo TY, Zhao J, Mpourmpakis G, Mokashi-Punekar S, Rosi NL, Jin R.
PMID: 29182284
J Am Chem Soc. 2017 Dec 13;139(49):17779-17782. doi: 10.1021/jacs.7b11491. Epub 2017 Dec 04.

Atomically precise metal nanoclusters with tailored surface structures are important for both fundamental studies and practical applications. The development of new methods for tailoring the surface structure in a controllable manner has long been sought. In this work, we...

Cite
Li Q, Lambright KJ, Taylor MG, et al. Reconstructing the Surface of Gold Nanoclusters by Cadmium Doping. J Am Chem Soc. 2017;139(49):17779-17782doi: 10.1021/jacs.7b11491.
Li, Q., Lambright, K. J., Taylor, M. G., Kirschbaum, K., Luo, T. Y., Zhao, J., Mpourmpakis, G., Mokashi-Punekar, S., Rosi, N. L., & Jin, R. (2017). Reconstructing the Surface of Gold Nanoclusters by Cadmium Doping. Journal of the American Chemical Society, 139(49), 17779-17782. https://doi.org/10.1021/jacs.7b11491
Li, Qi, et al. "Reconstructing the Surface of Gold Nanoclusters by Cadmium Doping." Journal of the American Chemical Society vol. 139,49 (2017): 17779-17782. doi: https://doi.org/10.1021/jacs.7b11491
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. J Am Chem Soc. 2017 Dec 13;139(49):17779-17782. doi: 10.1021/jacs.7b11491. Epub 2017 Dec 04. PMID: 29182284.
Copy Download .nbib Format: NLM
Predicting the Energetics of Hydrogen Intercalation in Metal Oxides Using Acid-Base Properties.

ACS applied materials & interfaces

Miu EV, Mpourmpakis G, McKone JR.
PMID: 32929950
ACS Appl Mater Interfaces. 2020 Oct 07;12(40):44658-44670. doi: 10.1021/acsami.0c11300. Epub 2020 Sep 27.

The ability to predict intercalation energetics from first principles is attractive for identifying candidate materials for energy storage, chemical sensing, and catalysis. In this work, we introduce a computational framework that can be used to predict the thermodynamics of...

Cite
Miu EV, Mpourmpakis G, McKone JR. Predicting the Energetics of Hydrogen Intercalation in Metal Oxides Using Acid-Base Properties. ACS Appl Mater Interfaces. 2020;12(40):44658-44670doi: 10.1021/acsami.0c11300.
Miu, E. V., Mpourmpakis, G., & McKone, J. R. (2020). Predicting the Energetics of Hydrogen Intercalation in Metal Oxides Using Acid-Base Properties. ACS applied materials & interfaces, 12(40), 44658-44670. https://doi.org/10.1021/acsami.0c11300
Miu, Evan V, et al. "Predicting the Energetics of Hydrogen Intercalation in Metal Oxides Using Acid-Base Properties." ACS applied materials & interfaces vol. 12,40 (2020): 44658-44670. doi: https://doi.org/10.1021/acsami.0c11300
Miu EV, Mpourmpakis G, McKone JR. Predicting the Energetics of Hydrogen Intercalation in Metal Oxides Using Acid-Base Properties. ACS Appl Mater Interfaces. 2020 Oct 07;12(40):44658-44670. doi: 10.1021/acsami.0c11300. Epub 2020 Sep 27. PMID: 32929950.
Copy Download .nbib Format: NLM
Size-, Shape-, and Composition-Dependent Model for Metal Nanoparticle Stability Prediction.

Nano letters

Yan Z, Taylor MG, Mascareno A, Mpourmpakis G.
PMID: 29578341
Nano Lett. 2018 Apr 11;18(4):2696-2704. doi: 10.1021/acs.nanolett.8b00670. Epub 2018 Apr 02.

Although tremendous applications for metal nanoparticles have been found in modern technologies, the understanding of their stability as related to morphology (size and shape) and chemical ordering (e.g., in bimetallics) remains limited. First-principles methods such as density functional theory...

Cite
Yan Z, Taylor MG, Mascareno A, et al. Size-, Shape-, and Composition-Dependent Model for Metal Nanoparticle Stability Prediction. Nano Lett. 2018;18(4):2696-2704doi: 10.1021/acs.nanolett.8b00670.
Yan, Z., Taylor, M. G., Mascareno, A., & Mpourmpakis, G. (2018). Size-, Shape-, and Composition-Dependent Model for Metal Nanoparticle Stability Prediction. Nano letters, 18(4), 2696-2704. https://doi.org/10.1021/acs.nanolett.8b00670
Yan, Zihao, et al. "Size-, Shape-, and Composition-Dependent Model for Metal Nanoparticle Stability Prediction." Nano letters vol. 18,4 (2018): 2696-2704. doi: https://doi.org/10.1021/acs.nanolett.8b00670
Yan Z, Taylor MG, Mascareno A, Mpourmpakis G. Size-, Shape-, and Composition-Dependent Model for Metal Nanoparticle Stability Prediction. Nano Lett. 2018 Apr 11;18(4):2696-2704. doi: 10.1021/acs.nanolett.8b00670. Epub 2018 Apr 02. PMID: 29578341.
Copy Download .nbib Format: NLM
Why alkali metals preferably bind on structural defects of carbon nanotubes: a theoretical study by first principles.

The Journal of chemical physics

Mpourmpakis G, Froudakis G.
PMID: 17144723
J Chem Phys. 2006 Nov 28;125(20):204707. doi: 10.1063/1.2397679.

By using ab initio calculations we investigated the interaction of alkali metal atoms and alkali metal cations with perfect and defective carbon nanotubes. Our results show that the alkali metals prefer to interact with the pentagons and heptagons that...

Cite
Mpourmpakis G, Froudakis G. Why alkali metals preferably bind on structural defects of carbon nanotubes: a theoretical study by first principles. J Chem Phys. 2006;125(20):204707doi: 10.1063/1.2397679.
Mpourmpakis, G., & Froudakis, G. (2006). Why alkali metals preferably bind on structural defects of carbon nanotubes: a theoretical study by first principles. The Journal of chemical physics, 125(20), 204707. https://doi.org/10.1063/1.2397679
Mpourmpakis, Giannis, and Froudakis, George. "Why alkali metals preferably bind on structural defects of carbon nanotubes: a theoretical study by first principles." The Journal of chemical physics vol. 125,20 (2006): 204707. doi: https://doi.org/10.1063/1.2397679
Mpourmpakis G, Froudakis G. Why alkali metals preferably bind on structural defects of carbon nanotubes: a theoretical study by first principles. J Chem Phys. 2006 Nov 28;125(20):204707. doi: 10.1063/1.2397679. PMID: 17144723.
Copy Download .nbib Format: NLM
Description and Role of Bimetallic Prenucleation Species in the Formation of Small Nanoparticle Alloys.

Journal of the American Chemical Society

Marbella LE, Chevrier DM, Tancini PD, Shobayo O, Smith AM, Johnston KA, Andolina CM, Zhang P, Mpourmpakis G, Millstone JE.
PMID: 26670347
J Am Chem Soc. 2015 Dec 23;137(50):15852-8. doi: 10.1021/jacs.5b10124. Epub 2015 Dec 15.

We report the identification, description, and role of multinuclear metal-thiolate complexes in aqueous Au-Cu nanoparticle syntheses. The structure of these species was characterized by nuclear magnetic resonance spectroscopy, mass spectrometry, X-ray photoelectron spectroscopy, and X-ray absorption spectroscopy techniques. The...

Cite
Marbella LE, Chevrier DM, Tancini PD, et al. Description and Role of Bimetallic Prenucleation Species in the Formation of Small Nanoparticle Alloys. J Am Chem Soc. 2015;137(50):15852-8doi: 10.1021/jacs.5b10124.
Marbella, L. E., Chevrier, D. M., Tancini, P. D., Shobayo, O., Smith, A. M., Johnston, K. A., Andolina, C. M., Zhang, P., Mpourmpakis, G., & Millstone, J. E. (2015). Description and Role of Bimetallic Prenucleation Species in the Formation of Small Nanoparticle Alloys. Journal of the American Chemical Society, 137(50), 15852-8. https://doi.org/10.1021/jacs.5b10124
Marbella, Lauren E, et al. "Description and Role of Bimetallic Prenucleation Species in the Formation of Small Nanoparticle Alloys." Journal of the American Chemical Society vol. 137,50 (2015): 15852-8. doi: https://doi.org/10.1021/jacs.5b10124
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. J Am Chem Soc. 2015 Dec 23;137(50):15852-8. doi: 10.1021/jacs.5b10124. Epub 2015 Dec 15. PMID: 26670347.
Copy Download .nbib Format: NLM
Showing 1 to 12 of 42 entries