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1

Journal Article

Interstitial or interstitialcy: effect of the cation size on the migration mechanism in NaSICON materials

Schuett, Judith
2024

Physical chemistry, chemical physics, 26 (2024) 3, S. 2190 - 2204

2

Journal Article

Predicting the Na + ion transport properties of NaSICON materials using density functional theory and Kinetic Monte Carlo

Schuett, Judith
2023

Journal of materials chemistry / A, 11 (2023) 16, S. 9160 - 9177

3

Journal Article

First principles approach for promising oxide ion conducting AB Ga 3 O 7 melilite structures

Grieshammer, Steffen Paul
2023

Physical chemistry, chemical physics, 25 (2023) 9, S. 7028 - 7031

4

Journal Article

The effect of defect interactions on the reduction of doped ceria

Grieshammer, Steffen Paul
2021

Physical chemistry, chemical physics, 23 (2021) 17, S. 10321 - 10325

OpenAccess

5

Journal Article

The effect of ionic defect interactions on the hydration of yttrium-doped barium zirconate

Eisele, Sebastian
2021

Physical chemistry, chemical physics, 23 (2021) 8, S. 4882 - 4891

OpenAccess

6

Journal Article

Ionic and thermal conductivity of pure and doped ceria by molecular dynamics

Grieshammer, Steffen Paul
2020

Solid state ionics, 355 (2020) S. 115424 -

Get full text OpenAccess Get full text

7

Journal Article

MOCASSIN: Metropolis and Kinetic Monte Carlo for Solid Electrolytes

Eisele, Sebastian
2020

Journal of computational chemistry, 41 (2020) 31, S. 2663-2677

OpenAccess

8

Journal Article

Defect formation and migration in Nasicon $Li_{1+x}Al_xTi_{2−x}(PO_4)_3$

Arjmandi, Hamid R.
2019

Physical chemistry, chemical physics, 21 (2019) 43, S. 24232 - 24238

Restricted Published on 2019-10-23. Available in OpenAccess from 2020-10-23. Restricted Published on 2019-10-23. Available in OpenAccess from 2020-10-23.

9

Journal Article

Ab Initio Investigation of Migration Mechanisms in La Apatites

Schultze, Tim
2019

ACS applied energy materials, 2 (2019) 7, S. 4708 - 4717

Restricted Published on 2019-06-21. Available in OpenAccess from 2020-06-21. Restricted Published on 2019-06-21. Available in OpenAccess from 2020-06-21.

10

Journal Article

Nanoscale percolation in doped BaZrO3 for high proton mobility

Draber, Fabian M.
2019

Nature materials, 1 (2019) S. 1-9

11

Journal Article

Influence of the lattice constant on defects in cerium oxide

Grieshammer, Steffen Paul
2018

Physical chemistry, chemical physics, 20 (2018) 30, S. 19792 - 19799

12

Journal Article

Modeling Oxygen Ion Migration in the CeO 2 –ZrO 2 –Y 2 O 3 Solid Solution

Grieshammer, Steffen
2018

The journal of physical chemistry / C C, Nanomaterials and interfaces, 122 (2018) 33, S. 18809 - 18817

13

Journal Article

Understanding the ionic conductivity maximum in doped ceria: trapping and blocking

Koettgen, Julius
2018

Physical chemistry, chemical physics, 20 (2018) 21, S. 14291 - 14321

14

Influence of defect interactions on the free energy of reduction of doped ceria

Grieshammer, Steffen Paul
2017

15

Defect interactions in the CeO2-ZrO2-Y2O3 solid solution

Grieshammer, Steffen Paul
2017

16

Conference Presentation

Modelling the migration energy in Zr/Y-codoped ceria

Grieshammer, Steffen Paul
2017

17

Conference Presentation

Modelling the migration energy in Zr/Y-codoped ceria

Grieshammer, Steffen Paul
2017

18

Conference Presentation

Defect interactions in CeO2-ZrO2-Y2O3 solid solution: Effect on reduction and oxygen migration

Grieshammer, Steffen Paul
2017

19

Journal Article

Entropies of defect association in ceria from first principles

Grieshammer, S.
2017

Physical chemistry, chemical physics, 19 (2017) 43, S. 29625 - 29628

20

Journal Article

Defect Interactions in the CeO$_{2}$–ZrO$_{2}$–Y$_{2}$O$_{3}$ Solid Solution

Grieshammer, Steffen Paul
2017

The @journal of physical chemistry / C, 121 (2017) 28, S. 15078 - 15084

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