Publications

108 entries « 11 of 11 »

2022

Effects of Mg, Ca, Sr, and Ba Dopants on the Performance of La2O3 Catalysts for the Oxidative Coupling of Methane

Kiatsaengthong, Danusorn; Jaroenpanon, Kanticha; Somchuea, Pooripong; Chukeaw, Thanaphat; Chareonpanich, Metta; Faungnawakij, Kajornsak; Sohn, Hiesang; Rupprechter, Günther; Seubsai, Anusorn

Effects of Mg, Ca, Sr, and Ba Dopants on the Performance of La2O3 Catalysts for the Oxidative Coupling of Methane

Journal ArticleOpen Access

In: ACS Omega, vol. 7, no. 2, pp. 1785–1793, 2022.

Abstract | Links | BibTeX | Tags: P08

A Differentiable Neural-Network Force Field for Ionic Liquids

Montes-Campos, Hadrián; Carrete, Jesús; Bichelmaier, Sebastian; Varela, Luis M; Madsen, Georg K. H.

A Differentiable Neural-Network Force Field for Ionic Liquids

Journal ArticleOpen Access

In: Journal of Chemical Information and Modeling, vol. 62, no. 1, pp. 88–101, 2022.

Abstract | Links | BibTeX | Tags: P09

2021

Sum Frequency Generation in Ambient Environments: Vibrational Spectroscopy at Solid/Gas and Solid/Liquid Interfaces

Pramhaas, Verena; Rupprechter, Günther

Sum Frequency Generation in Ambient Environments: Vibrational Spectroscopy at Solid/Gas and Solid/Liquid Interfaces

Book Chapter

In: Ambient Pressure Spectroscopy in Complex Chemical Environments, vol. 1396, Chapter 6, pp. 119–145, American Chemical Society, 2021, ISBN: 9780841298125.

Abstract | Links | BibTeX | Tags: P08

Rapid oxygen exchange between hematite and water vapor

Jakub, Zdenek; Meier, Matthias; Kraushofer, Florian; Balajka, Jan; Pavelec, Jiri; Schmid, Michael; Franchini, Cesare; Diebold, Ulrike; Parkinson, Gareth S.

Rapid oxygen exchange between hematite and water vapor

Journal ArticleOpen Access

In: Nature Communications, vol. 12, iss. 1, no. 6488, 2021.

Abstract | Links | BibTeX | Tags: P02, P04, P07

LiOx-modification of Ni and Co3O4 surfaces: An XPS, LEIS and LEED study

Haunold, Thomas; Rupprechter, Günther

LiOx-modification of Ni and Co3O4 surfaces: An XPS, LEIS and LEED study

Journal ArticleOpen Access

In: Surface Science, vol. 713, pp. 121915, 2021.

Abstract | Links | BibTeX | Tags: P08

Thermal transport and phase transitions of zirconia by on-the-fly machine-learned interatomic potentials

Verdi, Carla; Karsai, Ferenc; Liu, Peitao; Jinnouchi, Ryosuke; Kresse, Georg

Thermal transport and phase transitions of zirconia by on-the-fly machine-learned interatomic potentials

Journal ArticleOpen Access

In: npj Computational Materials, vol. 7, pp. 156, 2021.

Abstract | Links | BibTeX | Tags: P03

Two-dimensional surface phase diagram of a multicomponent perovskite oxide: La0.8Sr0.2MnO3 (110)

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

Two-dimensional surface phase diagram of a multicomponent perovskite oxide: La0.8Sr0.2MnO3 (110)

Journal Article

In: Physical Review Materials, vol. 5, no. 9, pp. L092401, 2021.

Abstract | Links | BibTeX | Tags: P02

Single-Particle Catalysis: Revealing Intraparticle Pacemakers in Catalytic H2 Oxidation on Rh

Zeininger, Johannes; Suchorski, Yuri; Raab, Maximilian; Buhr, Sebastian; Grönbeck, Henrik; Rupprechter, Günther

Single-Particle Catalysis: Revealing Intraparticle Pacemakers in Catalytic H2 Oxidation on Rh

Journal ArticleOpen Access

In: ACS Catalysis, vol. 11, no. 15, pp. 10020–10027, 2021.

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

108 entries « 11 of 11 »