Publications

116 entries « 7 of 12 »

2022

Reconstruction changes drive surface diffusion and determine the flatness of oxide surfaces

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

Reconstruction changes drive surface diffusion and determine the flatness of oxide surfaces

Journal ArticleOpen Access

In: Journal of Vacuum Science & Technology A, vol. 40, no. 2, pp. 023206, 2022.

Abstract | Links | BibTeX | Tags: P02

Why and How Savitzky–Golay Filters Should Be Replaced

Schmid, Michael; Rath, David; Diebold, Ulrike

Why and How Savitzky–Golay Filters Should Be Replaced

Journal ArticleOpen Access

In: ACS Measurement Science Au, vol. 2, no. 2, pp. 185–196, 2022.

Abstract | Links | BibTeX | Tags: P02

Oxidative coupling of methane—comparisons of MnTiO3–Na2WO4 and MnOx–TiO2–Na2WO4 catalysts on different silica supports

Tiyatha, Worapinit; Chukeaw, Thanaphat; Sringam, Sarannuch; Witoon, Thongthai; Chareonpanich, Metta; Rupprechter, Günther; Seubsai, Anusorn

Oxidative coupling of methane—comparisons of MnTiO3–Na2WO4 and MnOx–TiO2–Na2WO4 catalysts on different silica supports

Journal ArticleOpen Access

In: Scientific Reports, vol. 12, pp. 2595, 2022.

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

Phase transitions of zirconia: Machine-learned force fields beyond density functional theory

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

Phase transitions of zirconia: Machine-learned force fields beyond density functional theory

Journal Article

In: Physical Review B, vol. 105, no. 6, pp. L060102, 2022.

Abstract | Links | BibTeX | Tags: P03

High-performance water gas shift induced by asymmetric oxygen vacancies: Gold clusters supported by ceria-praseodymia mixed oxides

Shi, Junjie; Li, Hailian; Genest, Alexander; Zhao, Weixuan; Qi, Pengfei; Wang, Tao; Rupprechter, Günther

High-performance water gas shift induced by asymmetric oxygen vacancies: Gold clusters supported by ceria-praseodymia mixed oxides

Journal ArticleOpen Access

In: Applied Catalysis B: Environmental, vol. 301, pp. 120789, 2022.

Abstract | Links | BibTeX | Tags: P08

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

116 entries « 7 of 12 »