Hickel T - Search Results

1

Understanding Alkali Contamination in Colloidal Nanomaterials to Unlock Grain Boundary Impurity Engineering.

Kim SH, Yoo SH, Chakraborty P, Jeong J, Lim J, El-Zoka AA, Zhou X, Stephenson LT, Hickel T, Neugebauer J, Scheu C, Todorova M, Gault B. Kim SH, et al. Among authors: hickel t. J Am Chem Soc. 2022 Jan 19;144(2):987-994. doi: 10.1021/jacs.1c11680. Epub 2022 Jan 4. J Am Chem Soc. 2022. PMID: 34982554 Free PMC article.

2

Hydrogen behaviour at twist {110} grain boundaries in α-Fe.

McEniry EJ, Hickel T, Neugebauer J. McEniry EJ, et al. Among authors: hickel t. Philos Trans A Math Phys Eng Sci. 2017 Jul 28;375(2098):20160402. doi: 10.1098/rsta.2016.0402. Philos Trans A Math Phys Eng Sci. 2017. PMID: 28607182 Free PMC article.

3

Hydrogen trapping and embrittlement in high-strength Al alloys.

Zhao H, Chakraborty P, Ponge D, Hickel T, Sun B, Wu CH, Gault B, Raabe D. Zhao H, et al. Among authors: hickel t. Nature. 2022 Feb;602(7897):437-441. doi: 10.1038/s41586-021-04343-z. Epub 2022 Feb 16. Nature. 2022. PMID: 35173345 Free PMC article.

4

Operando Phonon Studies of the Protonation Mechanism in Highly Active Hydrogen Evolution Reaction Pentlandite Catalysts.

Zegkinoglou I, Zendegani A, Sinev I, Kunze S, Mistry H, Jeon HS, Zhao J, Hu MY, Alp EE, Piontek S, Smialkowski M, Apfel UP, Körmann F, Neugebauer J, Hickel T, Roldan Cuenya B. Zegkinoglou I, et al. Among authors: hickel t. J Am Chem Soc. 2017 Oct 18;139(41):14360-14363. doi: 10.1021/jacs.7b07902. Epub 2017 Oct 4. J Am Chem Soc. 2017. PMID: 28937775

5

Advancing density functional theory to finite temperatures: methods and applications in steel design.

Hickel T, Grabowski B, Körmann F, Neugebauer J. Hickel T, et al. J Phys Condens Matter. 2012 Feb 8;24(5):053202. doi: 10.1088/0953-8984/24/5/053202. Epub 2011 Dec 9. J Phys Condens Matter. 2012. PMID: 22156143 Review.

6

The impact of carbon and oxygen in alpha-titanium: ab initio study of solution enthalpies and grain boundary segregation.

Aksyonov DA, Hickel T, Neugebauer J, Lipnitskii AG. Aksyonov DA, et al. Among authors: hickel t. J Phys Condens Matter. 2016 Sep 28;28(38):385001. doi: 10.1088/0953-8984/28/38/385001. Epub 2016 Jul 27. J Phys Condens Matter. 2016. PMID: 27460043

7

Determination of symmetry reduced structures using a soft phonon analysis for magnetic shape memory alloys (abstract only).

Hickel T, Uijttewaal M, Grabowski B, Neugebauer J. Hickel T, et al. J Phys Condens Matter. 2008 Feb 13;20(6):064219. doi: 10.1088/0953-8984/20/6/064219. Epub 2008 Jan 24. J Phys Condens Matter. 2008. PMID: 21693881

8

Origin of Structural Modulations in Ultrathin Fe Films on Cu(001).

Zhang X, Hickel T, Rogal J, Neugebauer J. Zhang X, et al. Among authors: hickel t. Phys Rev Lett. 2017 Jun 9;118(23):236101. doi: 10.1103/PhysRevLett.118.236101. Epub 2017 Jun 9. Phys Rev Lett. 2017. PMID: 28644663

9

Understanding Anharmonicity in fcc Materials: From its Origin to ab initio Strategies beyond the Quasiharmonic Approximation.

Glensk A, Grabowski B, Hickel T, Neugebauer J. Glensk A, et al. Among authors: hickel t. Phys Rev Lett. 2015 May 15;114(19):195901. doi: 10.1103/PhysRevLett.114.195901. Epub 2015 May 12. Phys Rev Lett. 2015. PMID: 26024182

10

Mechanism of collective interstitial ordering in Fe-C alloys.

Zhang X, Wang H, Hickel T, Rogal J, Li Y, Neugebauer J. Zhang X, et al. Among authors: hickel t. Nat Mater. 2020 Aug;19(8):849-854. doi: 10.1038/s41563-020-0677-9. Epub 2020 May 4. Nat Mater. 2020. PMID: 32367079

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