Frauenheim T - Search Results

1

Evidence for Fe(2+) in wurtzite coordination: iron doping stabilizes ZnO nanoparticles.

Xiao J, Kuc A, Pokhrel S, Schowalter M, Parlapalli S, Rosenauer A, Frauenheim T, Mädler L, Pettersson LG, Heine T. Xiao J, et al. Among authors: frauenheim t. Small. 2011 Oct 17;7(20):2879-86. doi: 10.1002/smll.201100963. Epub 2011 Sep 12. Small. 2011. PMID: 21913325

2

Proton conductivity of SO3 H-functionalized benzene-periodic mesoporous organosilica.

Sharifi M, Köhler C, Tölle P, Frauenheim T, Wark M. Sharifi M, et al. Among authors: frauenheim t. Small. 2011 Apr 18;7(8):1086-97. doi: 10.1002/smll.201001931. Epub 2011 Mar 29. Small. 2011. PMID: 21456099

3

On the stabilization mechanisms of organic functional groups on ZnO surfaces.

Moreira NH, Domıinguez A, Frauenheim T, da Rosa AL. Moreira NH, et al. Among authors: frauenheim t. Phys Chem Chem Phys. 2012 Nov 28;14(44):15445-51. doi: 10.1039/c2cp42435e. Epub 2012 Oct 16. Phys Chem Chem Phys. 2012. PMID: 23073244

4

Fe-doped ZnO nanoparticles: the oxidation number and local charge on iron, studied by 57Fe Mößbauer spectroscopy and DFT calculations.

Xiao J, Kuc A, Pokhrel S, Mädler L, Pöttgen R, Winter F, Frauenheim T, Heine T. Xiao J, et al. Among authors: frauenheim t. Chemistry. 2013 Mar 4;19(10):3287-91. doi: 10.1002/chem.201204308. Epub 2013 Feb 10. Chemistry. 2013. PMID: 23400908

5

Theoretical prediction of carbon dioxide reduction to methane at coordinatively unsaturated ferric site in the presence of Cu impurities.

Xiao J, Frauenheim T. Xiao J, et al. Among authors: frauenheim t. Phys Chem Chem Phys. 2014 Feb 28;16(8):3515-9. doi: 10.1039/c3cp54901a. Phys Chem Chem Phys. 2014. PMID: 24430744

6

Stabilization mechanism of ZnO nanoparticles by Fe doping.

Xiao J, Kuc A, Frauenheim T, Heine T. Xiao J, et al. Among authors: frauenheim t. Phys Rev Lett. 2014 Mar 14;112(10):106102. doi: 10.1103/PhysRevLett.112.106102. Epub 2014 Mar 10. Phys Rev Lett. 2014. PMID: 24679309

7

Robust two-dimensional topological insulators in methyl-functionalized bismuth, antimony, and lead bilayer films.

Ma Y, Dai Y, Kou L, Frauenheim T, Heine T. Ma Y, et al. Among authors: frauenheim t. Nano Lett. 2015 Feb 11;15(2):1083-9. doi: 10.1021/nl504037u. Epub 2015 Jan 7. Nano Lett. 2015. PMID: 25559879

8

Two-dimensional Cu2Si monolayer with planar hexacoordinate copper and silicon bonding.

Yang LM, Bačić V, Popov IA, Boldyrev AI, Heine T, Frauenheim T, Ganz E. Yang LM, et al. Among authors: frauenheim t. J Am Chem Soc. 2015 Feb 25;137(7):2757-62. doi: 10.1021/ja513209c. Epub 2015 Feb 13. J Am Chem Soc. 2015. PMID: 25643071

9

Post-anti-van't Hoff-Le Bel motif in atomically thin germanium-copper alloy film.

Yang LM, Popov IA, Boldyrev AI, Heine T, Frauenheim T, Ganz E. Yang LM, et al. Among authors: frauenheim t. Phys Chem Chem Phys. 2015 Jul 21;17(27):17545-51. doi: 10.1039/c5cp02827b. Epub 2015 Jun 15. Phys Chem Chem Phys. 2015. PMID: 26074127

10

Tuning Magnetism and Electronic Phase Transitions by Strain and Electric Field in Zigzag MoS2 Nanoribbons.

Kou L, Tang C, Zhang Y, Heine T, Chen C, Frauenheim T. Kou L, et al. Among authors: frauenheim t. J Phys Chem Lett. 2012 Oct 18;3(20):2934-41. doi: 10.1021/jz301339e. Epub 2012 Sep 27. J Phys Chem Lett. 2012. PMID: 26292229

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