Publications

46 entries « 5 of 5 »

2017

Polaron-Driven Surface Reconstructions

Reticcioli, Michele; Setvin, Martin; Hao, Xianfeng; Flauger, Peter; Kresse, Georg; Schmid, Michael; Diebold, Ulrike; Franchini, Cesare

Polaron-Driven Surface Reconstructions Journal Article

In: Physical Review X, 7 (3), pp. 031053, 2017.

Abstract | Links | BibTeX | Tags: P02, P03, P07, pre-TACO

How Chemical Composition Alone Can Predict Vibrational Free Energies and Entropies of Solids

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

How Chemical Composition Alone Can Predict Vibrational Free Energies and Entropies of Solids Journal Article

In: Chemistry of Materials, 29 (15), pp. 6220–6227, 2017.

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

2016

Operando XAS and NAP-XPS studies of preferential CO oxidation on Co3O4 and CeO2-Co3O4 catalysts

Lukashuk, Liliana; Föttinger, Karin; Kolar, Elisabeth; Rameshan, Christoph; Teschner, Detre; Hävecker, Michael; Knop-Gericke, Axel; Yigit, Nevzat; Li, Hao; McDermott, Eamon; Stöger-Pollach, Michael; Rupprechter, Günther

Operando XAS and NAP-XPS studies of preferential CO oxidation on Co3O4 and CeO2-Co3O4 catalysts Journal Article

In: Journal of Catalysis, 344 , pp. 1–15, 2016.

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

Methane dry reforming over ceria-zirconia supported Ni catalysts

Wolfbeisser, Astrid; Sophiphun, Onsulang; Bernardi, Johannes; Wittayakun, Jatuporn; Föttinger, Karin; Rupprechter, Günther

Methane dry reforming over ceria-zirconia supported Ni catalysts Journal Article

In: Catalysis Today, 277 , pp. 234–245, 2016.

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

High-Throughput Computation of Thermal Conductivity of High-Temperature Solid Phases: The Case of Oxide and Fluoride Perovskites

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

High-Throughput Computation of Thermal Conductivity of High-Temperature Solid Phases: The Case of Oxide and Fluoride Perovskites Journal Article

In: Physical Review X, 6 (4), pp. 041061, 2016.

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

2014

In Situ Spectroscopy of Complex Surface Reactions on Supported Pd–Zn, Pd–Ga, and Pd(Pt)–Cu Nanoparticles

Föttinger, Karin; Rupprechter, Günther

In Situ Spectroscopy of Complex Surface Reactions on Supported Pd–Zn, Pd–Ga, and Pd(Pt)–Cu Nanoparticles Journal Article

In: Accounts of Chemical Research, 47 (10), pp. 3071–3079, 2014.

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

46 entries « 5 of 5 »