Publications

46 entries « 3 of 5 »

2020

IrO2 Surface Complexions Identified through Machine Learning and Surface Investigations

Timmermann, Jakob; Kraushofer, Florian; Resch, Nikolaus; Li, Peigang; Wang, Yu; Mao, Zhiqiang; Riva, Michele; Lee, Yonghyuk; Staacke, Carsten; Schmid, Michael; Scheurer, Christoph; Parkinson, Gareth S; Diebold, Ulrike; Reuter, Karsten

IrO2 Surface Complexions Identified through Machine Learning and Surface Investigations Journal Article

In: Physical Review Letters, 125 (20), pp. 206101, 2020.

Abstract | Links | BibTeX | Tags: P02, P04, pre-TACO

Ab initio structure and thermodynamics of the RPBE-D3 water/vapor interface by neural-network molecular dynamics

Wohlfahrt, Oliver; Dellago, Christoph; Sega, Marcello

Ab initio structure and thermodynamics of the RPBE-D3 water/vapor interface by neural-network molecular dynamics Journal Article

In: The Journal of Chemical Physics, 153 (14), pp. 144710, 2020.

Abstract | Links | BibTeX | Tags: P12, pre-TACO

Atomically resolved surface phases of La0.8Sr0.2MnO3(110) thin films

Franceschi, Giada; Schmid, Michael; Diebold, Ulrike; Riva, Michele

Atomically resolved surface phases of La0.8Sr0.2MnO3(110) thin films Journal Article

In: Journal of Materials Chemistry A, 8 (43), pp. 22947–22961, 2020.

Abstract | Links | BibTeX | Tags: P02, pre-TACO

Energy-Guided Shape Control Towards Highly Active CeO2

Yang, Jingxia; Ding, Huihui; Wang, Jinjie; Yigit, Nevzat; Xu, Jingli; Rupprechter, Günther; Zhang, Min; Li, Zhiquan

Energy-Guided Shape Control Towards Highly Active CeO2 Journal Article

In: Topics in Catalysis, 63 (19-20), pp. 1743–1753, 2020.

Abstract | Links | BibTeX | Tags: P08, pre-TACO

On-the-Fly Active Learning of Interatomic Potentials for Large-Scale Atomistic Simulations

Jinnouchi, Ryosuke; Miwa, Kazutoshi; Karsai, Ferenc; Kresse, Georg; Asahi, Ryoji

On-the-Fly Active Learning of Interatomic Potentials for Large-Scale Atomistic Simulations Journal Article

In: The Journal of Physical Chemistry Letters, 11 (17), pp. 6946–6955, 2020.

Abstract | Links | BibTeX | Tags: P03, pre-TACO

Electrochemical Stability of the Reconstructed Fe3O4(001) Surface

Grumelli, Doris; Wiegmann, Tim; Barja, Sara; Reikowski, Finn; Maroun, Fouad; Allongue, Philippe; Balajka, Jan; Parkinson, Gareth S; Diebold, Ulrike; Kern, Klaus; Magnussen, Olaf M

Electrochemical Stability of the Reconstructed Fe3O4(001) Surface Journal Article

In: Angewandte Chemie - International Edition, 59 (49), pp. 21904–21908, 2020.

Abstract | Links | BibTeX | Tags: P02, P04, pre-TACO

Catalysis by Imaging: From Meso- to Nano-scale

Suchorski, Yuri; Rupprechter, Günther

Catalysis by Imaging: From Meso- to Nano-scale Journal Article

In: Topics in Catalysis, 63 (15-18), pp. 1532–1544, 2020.

Abstract | Links | BibTeX | Tags: P08, pre-TACO

Probing the Mineral–Water Interface with Nonlinear Optical Spectroscopy

Backus, Ellen H G; Schaefer, Jan; Bonn, Mischa

Probing the Mineral–Water Interface with Nonlinear Optical Spectroscopy Journal Article

In: Angewandte Chemie - International Edition, 60 (19), pp. 10482–10501, 2020.

Abstract | Links | BibTeX | Tags: P11, pre-TACO

The Dynamic Structure of Au38(SR)24 Nanoclusters Supported on CeO2 upon Pretreatment and CO Oxidation

Pollitt, Stephan; Truttmann, Vera; Haunold, Thomas; Garcia, Clara; Olszewski, Wojciech; Llorca, Jordi; é, Noelia Barrab; Rupprechter, Günther

The Dynamic Structure of Au38(SR)24 Nanoclusters Supported on CeO2 upon Pretreatment and CO Oxidation Journal Article

In: ACS Catalysis, 10 (11), pp. 6144–6148, 2020.

Abstract | Links | BibTeX | Tags: P08, pre-TACO

Surface Charges at the CaF2/Water Interface Allow Very Fast Intermolecular Vibrational-Energy Transfer

Lesnicki, Dominika; Zhang, Zhen; Bonn, Mischa; Sulpizi, Marialore; Backus, Ellen H G

Surface Charges at the CaF2/Water Interface Allow Very Fast Intermolecular Vibrational-Energy Transfer Journal Article

In: Angewandte Chemie - International Edition, 59 (31), pp. 13116–13121, 2020.

Abstract | Links | BibTeX | Tags: P11, pre-TACO

46 entries « 3 of 5 »