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Showing 1 to 12 of 104 entries
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Understanding the Thermal Stability of Palladium-Platinum Core-Shell Nanocrystals by In Situ Transmission Electron Microscopy and Density Functional Theory.

ACS nano

Vara M, Roling LT, Wang X, Elnabawy AO, Hood ZD, Chi M, Mavrikakis M, Xia Y.
PMID: 28485913
ACS Nano. 2017 May 23;11(5):4571-4581. doi: 10.1021/acsnano.6b08692. Epub 2017 May 12.

Core-shell nanocrystals offer many advantages for heterogeneous catalysis, including precise control over both the surface structure and composition, as well as reduction in loading for rare and costly metals. Although many catalytic processes are operated at elevated temperatures, the...

Mechanistic Study of Nitric Oxide Reduction by Hydrogen on Pt(100) (I): A DFT Analysis of the Reaction Network.

The journal of physical chemistry. B

Bai Y, Mavrikakis M.
PMID: 28481533
J Phys Chem B. 2018 Jan 18;122(2):432-443. doi: 10.1021/acs.jpcb.7b01115. Epub 2017 May 08.

Periodic, self-consistent density functional theory (DFT-GGA, PW91) calculations are used to study the reaction mechanism for nitric oxide (NO) reduction by hydrogen (H

Stabilization of copper catalysts for liquid-phase reactions by atomic layer deposition.

Angewandte Chemie (International ed. in English)

O'Neill BJ, Jackson DH, Crisci AJ, Farberow CA, Shi F, Alba-Rubio AC, Lu J, Dietrich PJ, Gu X, Marshall CL, Stair PC, Elam JW, Miller JT, Ribeiro FH, Voyles PM, Greeley J, Mavrikakis M, Scott SL, Kuech TF, Dumesic JA.
PMID: 24282166
Angew Chem Int Ed Engl. 2013 Dec 16;52(51):13808-12. doi: 10.1002/anie.201308245. Epub 2013 Nov 26.

Atomic layer deposition (ALD) of an alumina overcoat can stabilize a base metal catalyst (e.g., copper) for liquid-phase catalytic reactions (e.g., hydrogenation of biomass-derived furfural in alcoholic solvents or water), thereby eliminating the deactivation of conventional catalysts by sintering...

Diffusion of N adatoms on the Fe(100) surface.

Physical review letters

Pedersen MO, Osterlund L, Mortensen JJ, Mavrikakis M, Hansen LB, Stensgaard I, Laegsgaard E, Norskov JK, Besenbacher F.
PMID: 10990826
Phys Rev Lett. 2000 May 22;84(21):4898-901. doi: 10.1103/PhysRevLett.84.4898.

The diffusion of individual N adatoms on Fe(100) has been studied using scanning tunneling microscopy and ab initio density functional theory (DFT) calculations. The measured diffusion barrier for isolated N adatoms is E(d) = (0.92+/-0.04) eV, with a prefactor...

Electronic structure and catalysis on metal surfaces.

Annual review of physical chemistry

Greeley J, Nørskov JK, Mavrikakis M.
PMID: 11972011
Annu Rev Phys Chem. 2002;53:319-48. doi: 10.1146/annurev.physchem.53.100301.131630. Epub 2001 Oct 04.

The powerful computational resources available to scientists today, together with recent improvements in electronic structure calculation algorithms, are providing important new tools for researchers in the fields of surface science and catalysis. In this review, we discuss first principles...

Controlling the catalytic activity of platinum-monolayer electrocatalysts for oxygen reduction with different substrates.

Angewandte Chemie (International ed. in English)

Zhang J, Vukmirovic MB, Xu Y, Mavrikakis M, Adzic RR.
PMID: 15714453
Angew Chem Int Ed Engl. 2005 Mar 29;44(14):2132-5. doi: 10.1002/anie.200462335.

No abstract available.

Cells within a cell: Insights into cellular architecture and polarization from the organization of the early fly embryo.

Communicative & integrative biology

Mavrakis M, Rikhy R, Lippincott-Schwartz J.
PMID: 19721875
Commun Integr Biol. 2009 Jul;2(4):313-4. doi: 10.4161/cib.2.4.8240.

Drosophila embryogenesis begins with 13 rapid nuclear divisions within a common cytoplasm. These divisions produce approximately 6,000 nuclei that, during the next division cycle, become encased in plasma membrane (PM) and generate the primary embryonic epithelium in the process...

Structure sensitivity of methanol electrooxidation on transition metals.

Journal of the American Chemical Society

Ferrin P, Mavrikakis M.
PMID: 19754206
J Am Chem Soc. 2009 Oct 14;131(40):14381-9. doi: 10.1021/ja904010u.

We have investigated the structure sensitivity of methanol electrooxidation on eight transition metals (Au, Ag, Cu, Pt, Pd, Ir, Rh, and Ni) using periodic, self-consistent density functional theory (DFT-GGA). Using the adsorption energies of 16 intermediates on two different...

Nanocatalysis beyond the gold-rush era.

Angewandte Chemie (International ed. in English)

Grabow LC, Mavrikakis M.
PMID: 18688901
Angew Chem Int Ed Engl. 2008;47(39):7390-2. doi: 10.1002/anie.200802592.

No abstract available.

CO-induced embedding of Pt adatoms in a partially reduced FeO(x) film on Pt(111).

Journal of the American Chemical Society

Merte LR, Knudsen J, Eichhorn FM, Porsgaard S, Zeuthen H, Grabow LC, Lægsgaard E, Bluhm H, Salmeron M, Mavrikakis M, Besenbacher F.
PMID: 21707081
J Am Chem Soc. 2011 Jul 20;133(28):10692-5. doi: 10.1021/ja2015923. Epub 2011 Jun 27.

The reduction of a single-layer FeO film grown on Pt(111) by CO at elevated pressures and temperatures has been studied through an interplay of scanning tunneling microscopy, ambient-pressure X-ray photoelectron spectroscopy, and density functional theory calculations. Exposure of the...

Anisotropic Synthesis of Armchair Graphene Nanoribbon Arrays from Sub-5 nm Seeds at Variable Pitches on Germanium.

The journal of physical chemistry letters

Way AJ, Murray EA, Göltl F, Saraswat V, Jacobberger RM, Mavrikakis M, Arnold MS.
PMID: 31287706
J Phys Chem Lett. 2019 Aug 01;10(15):4266-4272. doi: 10.1021/acs.jpclett.9b01079. Epub 2019 Jul 17.

At widths below 10 nm, armchair graphene nanoribbons become semiconductors. One promising route to synthesize nanoribbons is chemical vapor deposition (CVD) of hydrocarbons on Ge(001), and synthesis from seeds reduces nanoribbon polydispersity. In this contribution, we advance the seed-initiated...

Proteomics analysis of bladder cancer invasion: Targeting EIF3D for therapeutic intervention.

Oncotarget

Latosinska A, Mokou M, Makridakis M, Mullen W, Zoidakis J, Lygirou V, Frantzi M, Katafigiotis I, Stravodimos K, Hupe MC, Dobrzynski M, Kolch W, Merseburger AS, Mischak H, Roubelakis MG, Vlahou A.
PMID: 29050215
Oncotarget. 2017 Apr 20;8(41):69435-69455. doi: 10.18632/oncotarget.17279. eCollection 2017 Sep 19.

Patients with advanced bladder cancer have poor outcomes, indicating a need for more efficient therapeutic approaches. This study characterizes proteomic changes underlying bladder cancer invasion aiming for the better understanding of disease pathophysiology and identification of drug targets. High...

Showing 1 to 12 of 104 entries