Publications

112 entries « 9 of 12 »

2021

Unraveling CO adsorption on model single-atom catalysts

Hulva, Jan; Meier, Matthias; Bliem, Roland; Jakub, Zdenek; Kraushofer, Florian; Schmid, Michael; Diebold, Ulrike; Franchini, Cesare; Parkinson, Gareth S.

Unraveling CO adsorption on model single-atom catalysts

Journal Article

In: Science, vol. 371, no. 6527, pp. 375–379, 2021.

Abstract | Links | BibTeX | Tags: P02, P04, P07, pre-TACO

How the anisotropy of surface oxide formation influences the transient activity of a surface reaction

Winkler, Philipp; Zeininger, Johannes; Suchorski, Yuri; Stöger-Pollach, Michael; Zeller, Patrick; Amati, Matteo; Gregoratti, Luca; Rupprechter, Günther

How the anisotropy of surface oxide formation influences the transient activity of a surface reaction

Journal ArticleOpen Access

In: Nature Communications, vol. 12, no. 1, 2021.

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

Sum frequency generation spectroscopy in heterogeneous model catalysis: a minireview of CO-related processes

Li, Xia; Rupprechter, Günther

Sum frequency generation spectroscopy in heterogeneous model catalysis: a minireview of CO-related processes

Journal ArticleOpen Access

In: Catalysis Science & Technology, vol. 11, no. 1, pp. 12–26, 2021.

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

2020

Interplay between CO Disproportionation and Oxidation: On the Origin of the CO Reaction Onset on Atomic Layer Deposition-Grown Pt/ZrO2 Model Catalysts

Pramhaas, Verena; Roiaz, Matteo; Bosio, Noemi; Corva, Manuel; Rameshan, Christoph; Vesselli, Erik; Grönbeck, Henrik; Rupprechter, Günther

Interplay between CO Disproportionation and Oxidation: On the Origin of the CO Reaction Onset on Atomic Layer Deposition-Grown Pt/ZrO2 Model Catalysts

Journal ArticleOpen Access

In: ACS Catalysis, vol. 11, no. 1, pp. 208–214, 2020.

Abstract | Links | BibTeX | Tags: P08, P10, pre-TACO

An ultrahigh vacuum-compatible reaction cell for model catalysis under atmospheric pressure flow conditions

Haunold, Thomas; Rameshan, Christoph; Bukhtiyarov, Andrey V; Rupprechter, Günther

An ultrahigh vacuum-compatible reaction cell for model catalysis under atmospheric pressure flow conditions

Journal ArticleOpen Access

In: Review of Scientific Instruments, vol. 91, no. 12, pp. 125101, 2020.

Abstract | Links | BibTeX | Tags: P08, P10, pre-TACO

High-throughput study of the static dielectric constant at high temperatures in oxide and fluoride cubic perovskites

van Roekeghem, Ambroise; Carrete, Jesús; Curtarolo, Stefano; Mingo, Natalio

High-throughput study of the static dielectric constant at high temperatures in oxide and fluoride cubic perovskites

Journal Article

In: Physical Review Materials, vol. 4, no. 11, pp. 113804, 2020.

Abstract | Links | BibTeX | Tags: P09, pre-TACO

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, vol. 125, no. 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 ArticleOpen Access

In: The Journal of Chemical Physics, vol. 153, no. 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 ArticleOpen Access

In: Journal of Materials Chemistry A, vol. 8, no. 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, vol. 63, no. 19-20, pp. 1743–1753, 2020.

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

112 entries « 9 of 12 »