Publications

114 entries « 1 of 12 »

2025

Automatic Determination of Quasicrystalline Patterns from Microscopy Images

Kender, Tano Kim; Corrias, Marco; Franchini, Cesare

Automatic Determination of Quasicrystalline Patterns from Microscopy Images

Journal ArticleOpen Access

In: Advanced Intelligent Discovery, pp. 202500043, 2025.

Abstract | Links | BibTeX | Tags: P07

Direct conversion of methane to value-added hydrocarbons using alkali metal-promoted cobalt catalysts

Sringam, Sarannuch; Thansiriphat, Punyanut; Witoon, Thongthai; Donphai, Waleeporn; Chareonpanich, Metta; Wattanakit, Chularat; Sohn, Hiesang; Yigit, Nevzat; Rupprechter, Günther; Seubsai, Anusorn

Direct conversion of methane to value-added hydrocarbons using alkali metal-promoted cobalt catalysts

Journal ArticleOpen Access

In: RSC Advances, vol. 15, iss. 28, pp. 23103-23114, 2025.

Abstract | Links | BibTeX | Tags: P08

Machine Learning Small Polaron Dynamics

Birschitzky, Viktor C.; Leoni, Luca; Reticcioli, Michele; Franchini, Cesare

Machine Learning Small Polaron Dynamics

Journal ArticleOpen Access

In: Physical Review Letters, vol. 134, iss. 21, pp. 216301, 2025.

Abstract | Links | BibTeX | Tags: P07

Duality and degeneracy lifting in two-dimensional electron liquids on SrTiO3(001)

Sokolović, Igor; Guedes, Eduardo B.; van Waas, Thomas P.; Guo, Fei; Poncé, Samuel; Polley, Craig; Schmid, Michael; Diebold, Ulrike; Radović, Milan; Setvín, Martin; Dil, J. Hugo

Duality and degeneracy lifting in two-dimensional electron liquids on SrTiO3(001)

Journal ArticleOpen Access

In: Nature Communications, vol. 16, iss. 1, pp. 4594, 2025.

Abstract | Links | BibTeX | Tags: P02

Mechanistic Insights into CO and H2 Oxidation on Cu/CeO2 Single Atom Catalysts: A Computational Investigation

Tangpakonsab, Parinya; Genest, Alexander; Parkinson, Gareth S.; Rupprechter, Günther

Mechanistic Insights into CO and H2 Oxidation on Cu/CeO2 Single Atom Catalysts: A Computational Investigation

Journal ArticleOpen Access

In: Topics in Catalysis, 2025.

Abstract | Links | BibTeX | Tags: P04, P08

Learning Mappings between Equilibrium States of Liquid Systems Using Normalizing Flows

Coretti, Alessandro; Falkner, Sebastian; Geissler, Phillip; Dellago, Christoph

Learning Mappings between Equilibrium States of Liquid Systems Using Normalizing Flows

Journal ArticleOpen Access

In: The Journal of Chemical Physics, vol. 162, iss. 18, pp. 184102, 2025.

Abstract | Links | BibTeX | Tags: P12

Quantum Delocalization Enables Water Dissociation on Ru(0001)

Cao, Yu; Wang, Jiantao; Liu, Mingfeng; Liu, Yan; Ma, Hui; Franchini, Cesare; Sun, Yan; Kresse, Georg; Chen, Xing-Qiu; Liu, Peitao

Quantum Delocalization Enables Water Dissociation on Ru(0001)

Journal ArticleOpen Access

In: Physical Review Letters, vol. 134, iss. 17, pp. 178001, 2025.

Abstract | Links | BibTeX | Tags: P03, P07

How to cleave cubic perovskite oxides

Sokolović, Igor; Schmid, Michael; Diebold, Ulrike; Setvín, Martin

How to cleave cubic perovskite oxides

Journal ArticleOpen Access

In: Review of Scientific Instruments, vol. 96, iss. 3, pp. 035113, 2025.

Abstract | Links | BibTeX | Tags: P02

Green Syngas from Photothermal Catalytic Cellulose Steam Reforming on Ni/SiO2 Nanocatalysts: Synergy of La3+ Promotion and Ni–O Photoactivation

Wu, Jichun; Zhou, Chongyang; Zhong, Mengqi; Du, Qing; Ji, Cong; Hu, Qianqian; Ji, Lei; Li, Xia; Rupprechter, Günther; Li, Yuanzhi

Green Syngas from Photothermal Catalytic Cellulose Steam Reforming on Ni/SiO2 Nanocatalysts: Synergy of La3+ Promotion and Ni–O Photoactivation

Journal ArticleOpen Access

In: Small, vol. 21, iss. 14, pp. 2411977, 2025.

Abstract | Links | BibTeX | Tags: P08

Mechanism and kinetics of sodium diffusion in Na-feldspar from neural network based atomistic simulations

Gorfer, Alexander; Abart, Rainer; Dellago, Christoph

Mechanism and kinetics of sodium diffusion in Na-feldspar from neural network based atomistic simulations

Journal ArticleOpen Access

In: Acta Materialia, vol. 286, pp. 120657, 2025, (Acta Materialia, submitted).

Abstract | Links | BibTeX | Tags: P12

114 entries « 1 of 12 »