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Items: 15

1.

Predicting Adsorption Properties of Catalytic Descriptors on Bimetallic Nanoalloys with Site-Specific Precision.

Choksi TS, Roling LT, Streibel V, Abild-Pedersen F.

J Phys Chem Lett. 2019 Apr 18;10(8):1852-1859. doi: 10.1021/acs.jpclett.9b00475. Epub 2019 Apr 4.

PMID:
30935205
2.

A coordination-based model for transition metal alloy nanoparticles.

Roling LT, Choksi TS, Abild-Pedersen F.

Nanoscale. 2019 Mar 7;11(10):4438-4452. doi: 10.1039/c9nr00959k.

PMID:
30801602
3.

Nature of Lone-Pair-Surface Bonds and Their Scaling Relations.

Kakekhani A, Roling LT, Kulkarni A, Latimer AA, Abroshan H, Schumann J, AlJama H, Siahrostami S, Ismail-Beigi S, Abild-Pedersen F, Nørskov JK.

Inorg Chem. 2018 Jun 18;57(12):7222-7238. doi: 10.1021/acs.inorgchem.8b00902. Epub 2018 Jun 4.

PMID:
29863849
4.

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
5.

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
6.

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
7.

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.

8.

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
9.

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
10.

NANOCATALYSTS. Platinum-based nanocages with subnanometer-thick walls and well-defined, controllable facets.

Zhang L, Roling LT, Wang X, Vara M, Chi M, Liu J, Choi SI, Park J, Herron JA, Xie Z, Mavrikakis M, Xia Y.

Science. 2015 Jul 24;349(6246):412-6. doi: 10.1126/science.aab0801.

11.

Palladium-platinum core-shell icosahedra with substantially enhanced activity and durability towards oxygen reduction.

Wang X, Choi SI, Roling LT, Luo M, Ma C, Zhang L, Chi M, Liu J, Xie Z, Herron JA, Mavrikakis M, Xia Y.

Nat Commun. 2015 Jul 2;6:7594. doi: 10.1038/ncomms8594.

12.

Atomic layer-by-layer deposition of platinum on palladium octahedra for enhanced catalysts toward the oxygen reduction reaction.

Park J, Zhang L, Choi SI, Roling LT, Lu N, Herron JA, Xie S, Wang J, Kim MJ, Mavrikakis M, Xia Y.

ACS Nano. 2015 Mar 24;9(3):2635-47. doi: 10.1021/nn506387w. Epub 2015 Feb 16.

PMID:
25661922
13.

The nature of the Fe-graphene interface at the nanometer level.

Cattelan M, Peng GW, Cavaliere E, Artiglia L, Barinov A, Roling LT, Favaro M, Píš I, Nappini S, Magnano E, Bondino F, Gavioli L, Agnoli S, Mavrikakis M, Granozzi G.

Nanoscale. 2015 Feb 14;7(6):2450-60. doi: 10.1039/c4nr04956j.

PMID:
25565421
14.

Atomic layer-by-layer deposition of Pt on Pd nanocubes for catalysts with enhanced activity and durability toward oxygen reduction.

Xie S, Choi SI, Lu N, Roling LT, Herron JA, Zhang L, Park J, Wang J, Kim MJ, Xie Z, Mavrikakis M, Xia Y.

Nano Lett. 2014 Jun 11;14(6):3570-6. doi: 10.1021/nl501205j. Epub 2014 May 8.

PMID:
24797061
15.

Significant quantum effects in hydrogen activation.

Kyriakou G, Davidson ER, Peng G, Roling LT, Singh S, Boucher MB, Marcinkowski MD, Mavrikakis M, Michaelides A, Sykes EC.

ACS Nano. 2014 May 27;8(5):4827-35. doi: 10.1021/nn500703k. Epub 2014 Apr 8.

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