Roman T - Search Results

1

Applying computational nanomaterials design to the reactive ion etching of NiO thin films-a preliminary investigation.

David M, Muhida R, Roman T, Kunikata S, Diño WA, Nakanishi H, Kasai H, Takano F, Shima H, Akinaga H. David M, et al. Among authors: roman t. J Phys Condens Matter. 2007 Sep 12;19(36):365210. doi: 10.1088/0953-8984/19/36/365210. Epub 2007 Aug 24. J Phys Condens Matter. 2007. PMID: 21694156

2

High-uptake graphene hydrogenation: a computational perspective.

Roman T, Diño WA, Nakanishi H, Kasai H. Roman T, et al. J Phys Condens Matter. 2009 Nov 25;21(47):474219. doi: 10.1088/0953-8984/21/47/474219. Epub 2009 Nov 5. J Phys Condens Matter. 2009. PMID: 21832498

3

Coadsorbed H and CO interaction on platinum.

Roman T, Nakanishi H, Kasai H. Roman T, et al. Phys Chem Chem Phys. 2008 Oct 21;10(39):6052-7. doi: 10.1039/b806186f. Epub 2008 Aug 21. Phys Chem Chem Phys. 2008. PMID: 18825293

4

Halide adsorption on close-packed metal electrodes.

Roman T, Gossenberger F, Forster-Tonigold K, Groß A. Roman T, et al. Phys Chem Chem Phys. 2014 Jul 21;16(27):13630-4. doi: 10.1039/c4cp00237g. Epub 2014 Mar 19. Phys Chem Chem Phys. 2014. PMID: 24643669

5

Change of the work function of platinum electrodes induced by halide adsorption.

Gossenberger F, Roman T, Forster-Tonigold K, Groß A. Gossenberger F, et al. Among authors: roman t. Beilstein J Nanotechnol. 2014 Feb 10;5:152-61. doi: 10.3762/bjnano.5.15. eCollection 2014. Beilstein J Nanotechnol. 2014. PMID: 24605280 Free PMC article.

6

Periodic density-functional calculations on work-function change induced by adsorption of halogens on Cu(111).

Roman T, Groß A. Roman T, et al. Phys Rev Lett. 2013 Apr 12;110(15):156804. doi: 10.1103/PhysRevLett.110.156804. Epub 2013 Apr 12. Phys Rev Lett. 2013. PMID: 25167298

7

Water adsorption on bimetallic PtRu/Pt(111) surface alloys.

Fischer JM, Mahlberg D, Roman T, Groß A. Fischer JM, et al. Among authors: roman t. Proc Math Phys Eng Sci. 2016 Oct;472(2194):20160618. doi: 10.1098/rspa.2016.0618. Proc Math Phys Eng Sci. 2016. PMID: 27843411 Free PMC article.

8

Shaping the Future of Solid-State Electrolytes through Computational Modeling.

Baktash A, Reid JC, Yuan Q, Roman T, Searles DJ. Baktash A, et al. Among authors: roman t. Adv Mater. 2020 May;32(18):e1908041. doi: 10.1002/adma.201908041. Epub 2020 Mar 6. Adv Mater. 2020. PMID: 32141672 Review.

9

Modeling and Experimental Study of the Electron Transfer Kinetics for Non-ideal Electrodes Using Variable-Frequency Square Wave Voltammetry.

Marianov AN, Kochubei AS, Roman T, Conquest OJ, Stampfl C, Jiang Y. Marianov AN, et al. Among authors: roman t. Anal Chem. 2021 Jul 27;93(29):10175-10186. doi: 10.1021/acs.analchem.1c01286. Epub 2021 Jul 15. Anal Chem. 2021. PMID: 34264072

10

Calculating Entropies of Large Molecules in Aqueous Phase.

Conquest OJ, Roman T, Marianov A, Kochubei A, Jiang Y, Stampfl C. Conquest OJ, et al. Among authors: roman t. J Chem Theory Comput. 2021 Dec 14;17(12):7753-7771. doi: 10.1021/acs.jctc.1c00848. Epub 2021 Dec 3. J Chem Theory Comput. 2021. PMID: 34860016

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