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Items: 1 to 20 of 61

1.

Computational description of key spectroscopic features of zeolite SSZ-13.

Göltl F, Love AM, Schuenzel SC, Wolf P, Mavrikakis M, Hermans I.

Phys Chem Chem Phys. 2019 Aug 14. doi: 10.1039/c9cp03146d. [Epub ahead of print]

PMID:
31410424
2.

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

Way AJ, Murray EA, Göltl F, Saraswat V, Jacobberger RM, Mavrikakis M, Arnold MS.

J Phys Chem Lett. 2019 Aug 1;10(15):4266-4272. doi: 10.1021/acs.jpclett.9b01079. Epub 2019 Jul 17.

PMID:
31287706
3.

In situ, operando studies on the size and structure of supported Pt catalysts under supercritical conditions by simultaneous synchrotron-based X-ray techniques.

Lee S, Lee S, Gerceker D, Kumbhalkar MD, Wiaderek KM, Ball MR, Mavrikakis M, Dumesic JA, Winans RE.

Phys Chem Chem Phys. 2019 Jun 5;21(22):11740-11747. doi: 10.1039/c9cp00347a.

PMID:
31114817
4.

Iridium-Based Cubic Nanocages with 1.1-nm-Thick Walls: A Highly Efficient and Durable Electrocatalyst for Water Oxidation in an Acidic Medium.

Zhu J, Chen Z, Xie M, Lyu Z, Chi M, Mavrikakis M, Jin W, Xia Y.

Angew Chem Int Ed Engl. 2019 May 27;58(22):7244-7248. doi: 10.1002/anie.201901732. Epub 2019 Mar 26.

PMID:
30848853
5.

Alignment of semiconducting graphene nanoribbons on vicinal Ge(001).

Jacobberger RM, Murray EA, Fortin-Deschênes M, Göltl F, Behn WA, Krebs ZJ, Levesque PL, Savage DE, Smoot C, Lagally MG, Desjardins P, Martel R, Brar V, Moutanabbir O, Mavrikakis M, Arnold MS.

Nanoscale. 2019 Mar 14;11(11):4864-4875. doi: 10.1039/c9nr00713j.

PMID:
30821309
6.

Redox-Triggered Orientational Responses of Liquid Crystals to Chlorine Gas.

Szilvási T, Bao N, Nayani K, Yu H, Rai P, Twieg RJ, Mavrikakis M, Abbott NL.

Angew Chem Int Ed Engl. 2018 Jul 26;57(31):9665-9669. doi: 10.1002/anie.201803194. Epub 2018 Jul 9.

PMID:
29931784
7.

Liquid Crystals with Interfacial Ordering that Enhances Responsiveness to Chemical Targets.

Nayani K, Rai P, Bao N, Yu H, Mavrikakis M, Twieg RJ, Abbott NL.

Adv Mater. 2018 Jul;30(27):e1706707. doi: 10.1002/adma.201706707. Epub 2018 May 21.

PMID:
29782666
8.

Quantum chemical calculations to determine partitioning coefficients for HgCl2 on iron-oxide aerosols.

Tacey SA, Xu L, Szilvási T, Schauer JJ, Mavrikakis M.

Sci Total Environ. 2018 Sep 15;636:580-587. doi: 10.1016/j.scitotenv.2018.04.289. Epub 2018 Apr 30.

PMID:
29723830
9.

The role of anions in adsorbate-induced anchoring transitions of liquid crystals on surfaces with discrete cation binding sites.

Szilvási T, Bao N, Yu H, Twieg RJ, Mavrikakis M, Abbott NL.

Soft Matter. 2018 Jan 31;14(5):797-805. doi: 10.1039/c7sm01981e.

PMID:
29308482
10.

Toward rational nanoparticle synthesis: predicting surface intermixing in bimetallic alloy nanocatalysts.

Roling LT, Mavrikakis M.

Nanoscale. 2017 Oct 12;9(39):15005-15017. doi: 10.1039/c7nr04779g.

PMID:
28959805
11.

Distinguishing attosecond electron-electron scattering and screening in transition metals.

Chen C, Tao Z, Carr A, Matyba P, Szilvási T, Emmerich S, Piecuch M, Keller M, Zusin D, Eich S, Rollinger M, You W, Mathias S, Thumm U, Mavrikakis M, Aeschlimann M, Oppeneer PM, Kapteyn H, Murnane M.

Proc Natl Acad Sci U S A. 2017 Jul 3;114(27):E5300-E5307. doi: 10.1073/pnas.1706466114. Epub 2017 Jun 19.

12.

Understanding the Thermal Stability of Palladium-Platinum Core-Shell Nanocrystals by In Situ Transmission Electron Microscopy and Density Functional Theory.

Vara M, Roling LT, Wang X, Elnabawy AO, Hood ZD, Chi M, Mavrikakis M, Xia Y.

ACS Nano. 2017 May 23;11(5):4571-4581. doi: 10.1021/acsnano.6b08692. Epub 2017 May 12.

PMID:
28485913
13.

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

Bai Y, Mavrikakis M.

J Phys Chem B. 2018 Jan 18;122(2):432-443. doi: 10.1021/acs.jpcb.7b01115. Epub 2017 May 8.

PMID:
28481533
14.

Thermal Stability of Metal Nanocrystals: An Investigation of the Surface and Bulk Reconstructions of Pd Concave Icosahedra.

Gilroy KD, Elnabawy AO, Yang TH, Roling LT, Howe J, Mavrikakis M, Xia Y.

Nano Lett. 2017 Jun 14;17(6):3655-3661. doi: 10.1021/acs.nanolett.7b00844. Epub 2017 May 2.

PMID:
28448153
15.

Towards first-principles molecular design of liquid crystal-based chemoresponsive systems.

Roling LT, Scaranto J, Herron JA, Yu H, Choi S, Abbott NL, Mavrikakis M.

Nat Commun. 2016 Nov 2;7:13338. doi: 10.1038/ncomms13338.

16.

Synthesis and Characterization of Pt-Ag Alloy Nanocages with Enhanced Activity and Durability toward Oxygen Reduction.

Yang X, Roling LT, Vara M, Elnabawy AO, Zhao M, Hood ZD, Bao S, Mavrikakis M, Xia Y.

Nano Lett. 2016 Oct 12;16(10):6644-6649. Epub 2016 Sep 26.

PMID:
27661446
17.

Ab initio molecular dynamics of solvation effects on reactivity at electrified interfaces.

Herron JA, Morikawa Y, Mavrikakis M.

Proc Natl Acad Sci U S A. 2016 Aug 23;113(34):E4937-45. doi: 10.1073/pnas.1604590113. Epub 2016 Aug 8.

18.

Synthesis and Characterization of Ru Cubic Nanocages with a Face-Centered Cubic Structure by Templating with Pd Nanocubes.

Zhao M, Figueroa-Cosme L, Elnabawy AO, Vara M, Yang X, Roling LT, Chi M, Mavrikakis M, Xia Y.

Nano Lett. 2016 Aug 10;16(8):5310-7. doi: 10.1021/acs.nanolett.6b02795. Epub 2016 Aug 1.

PMID:
27458871
19.

Direct time-domain observation of attosecond final-state lifetimes in photoemission from solids.

Tao Z, Chen C, Szilvási T, Keller M, Mavrikakis M, Kapteyn H, Murnane M.

Science. 2016 Jul 1;353(6294):62-7. doi: 10.1126/science.aaf6793. Epub 2016 Jun 2.

20.

Heterogeneous Reduction Pathways for Hg(II) Species on Dry Aerosols: A First-Principles Computational Study.

Tacey SA, Xu L, Mavrikakis M, Schauer JJ.

J Phys Chem A. 2016 Apr 7;120(13):2106-13. doi: 10.1021/acs.jpca.5b12769. Epub 2016 Mar 25.

PMID:
27014805

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