Giada Franceschi
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View article: Total Variation-Based Image Decomposition and Denoising for Microscopy Images
Total Variation-Based Image Decomposition and Denoising for Microscopy Images Open
Experimentally acquired microscopy images are unavoidably affected by the presence of noise and other unwanted signals, which degrade their quality and might hide relevant features. With the recent increase in image acquisition rate, moder…
View article: ViPErLEED package I: Calculation of <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mi>I</mml:mi><mml:mo>(</mml:mo><mml:mi>V</mml:mi><mml:mo>)</mml:mo></mml:mrow></mml:math> curves and structural optimization
ViPErLEED package I: Calculation of curves and structural optimization Open
Low-energy electron diffraction (LEED) is a widely used technique in surface-science laboratories. Yet, it is rarely used to its full potential. The quantitative information about the surface structure, contained in the modulation of the i…
View article: Real-space investigation of polarons in hematite Fe <sub>2</sub> O <sub>3</sub>
Real-space investigation of polarons in hematite Fe <sub>2</sub> O <sub>3</sub> Open
In polarizable materials, electronic charge carriers interact with the surrounding ions, leading to quasiparticle behavior. The resulting polarons play a central role in many materials properties including electrical transport, interaction…
View article: Wave Function Engineering on Superconducting Substrates: Chiral Yu-Shiba-Rusinov Molecules
Wave Function Engineering on Superconducting Substrates: Chiral Yu-Shiba-Rusinov Molecules Open
Magnetic adatoms on superconductors give rise to Yu-Shiba-Rusinov (YSR) states that hold considerable interest for the design of topological superconductivity. Here, we show that YSR states are also an ideal platform to engineer structures…
View article: Digging Its Own Site: Linear Coordination Stabilizes a Pt<sub>1</sub>/Fe<sub>2</sub>O<sub>3</sub> Single-Atom Catalyst
Digging Its Own Site: Linear Coordination Stabilizes a Pt<sub>1</sub>/Fe<sub>2</sub>O<sub>3</sub> Single-Atom Catalyst Open
Determining the local coordination of the active site is a prerequisite for the reliable modeling of single-atom catalysts (SACs). Obtaining such information is difficult on powder-based systems and much emphasis is placed on density funct…
View article: Exploring Inhomogeneous Surfaces: Evolutionary Exploration of Ti-rich SrTiO3(110) Surface Reconstructions via Active Learning
Exploring Inhomogeneous Surfaces: Evolutionary Exploration of Ti-rich SrTiO3(110) Surface Reconstructions via Active Learning Open
The investigation of inhomogeneous surfaces, where various local structures co-exist, is crucial for understanding interfaces of technological interest, yet it presents significant challenges. Here, we study the atomic configurations of th…
View article: ViPErLEED package I: Calculation of $I(V)$ curves and structural optimization
ViPErLEED package I: Calculation of $I(V)$ curves and structural optimization Open
Low-energy electron diffraction (LEED) is a widely used technique in surface-science. Yet, it is rarely used to its full potential. The quantitative information about the surface structure, contained in the modulation of the intensities of…
View article: Machine-Learning-Backed Evolutionary Exploration of Ti-rich SrTiO3(110) Surface Reconstructions
Machine-Learning-Backed Evolutionary Exploration of Ti-rich SrTiO3(110) Surface Reconstructions Open
The investigation of inhomogeneous surfaces, where various local structures co-exist, is crucial for understanding interfaces of technological interest, yet it presents significant challenges. Here, we study the atomic configurations of th…
View article: Digging its own Site: Linear Coordination Stabilizes a Pt1/Fe2O3 Single-Atom Catalyst
Digging its own Site: Linear Coordination Stabilizes a Pt1/Fe2O3 Single-Atom Catalyst Open
Determining the local coordination of the active site is a pre-requisite for the reliable modeling of single-atom catalysts (SACs). Obtaining such information is difficult on powder-based systems, so much emphasis is placed on density func…
View article: Machine-Learning-Backed Evolutionary Exploration of Ti-rich SrTiO3(110) Surface Reconstructions
Machine-Learning-Backed Evolutionary Exploration of Ti-rich SrTiO3(110) Surface Reconstructions Open
The investigation of inhomogeneous surfaces, where various local structures co-exist, is crucial for understanding interfaces of technological interest, yet it presents significant challenges. Here, we study the atomic configurations of th…
View article: NH3 adsorption and competition with H2O on a hydroxylated aluminosilicate surface
NH3 adsorption and competition with H2O on a hydroxylated aluminosilicate surface Open
The interaction between ammonia (NH3) and (alumino)silicates is of fundamental and applied importance, yet the specifics of NH3 adsorption on silicate surfaces remain largely unexplored, mainly because of experimental challenges related to…
View article: Exploring inhomogeneous surfaces: Ti-rich SrTiO<sub>3</sub>(110) reconstructions <i>via</i> active learning
Exploring inhomogeneous surfaces: Ti-rich SrTiO<sub>3</sub>(110) reconstructions <i>via</i> active learning Open
The atomic configurations of the inhomogeneous surfaces are unraveled using an evolutionary strategy backed by a machine-learned neural-network force field. Excellent agreement with scanning tunneling microscopy images is demonstrated.
View article: How Water Binds to Microcline Feldspar (001)
How Water Binds to Microcline Feldspar (001) Open
Microcline feldspar (KAlSi3O8) is a common mineral with important roles in Earth's ecological balance. It participates in carbon, potassium, and water cycles, contributing to CO2 sequestration, soil formati…
View article: How water binds to microcline feldspar (001)
How water binds to microcline feldspar (001) Open
Microcline feldspar (KAlSi$_3$O$_8$) is a common mineral with important roles for Earth's ecological balance. It participates in the carbon, potassium, and water cycles, contributing to CO$_2$ sequestration, soil formation, and atmospheric…
View article: Effect of Different In<sub>2</sub>O<sub>3</sub>(111) Surface Terminations on CO<sub>2</sub> Adsorption
Effect of Different In<sub>2</sub>O<sub>3</sub>(111) Surface Terminations on CO<sub>2</sub> Adsorption Open
In2O3-based catalysts have shown high activity and selectivity for CO2 hydrogenation to methanol; however, the origin of the high performance of In2O3 is still unclear. To elucidate th…
View article: Hematite <i>α</i>‐Fe<sub>2</sub>O<sub>3</sub>(0001) in Top and Side View: Resolving Long‐Standing Controversies about Its Surface Structure
Hematite <i>α</i>‐Fe<sub>2</sub>O<sub>3</sub>(0001) in Top and Side View: Resolving Long‐Standing Controversies about Its Surface Structure Open
Hematite is a common iron oxide found in nature, and the α ‐Fe 2 O 3 (0001) plane is prevalent on the nanomaterial utilized in photo‐ and electrocatalytic applications. The atomic‐scale structure of the surface remains controversial despit…
View article: Interaction of surface cations of cleaved mica with water in vapor and liquid forms
Interaction of surface cations of cleaved mica with water in vapor and liquid forms Open
XPS and atomically resolved nc-AFM shed light on the interaction of the surface K + ions of muscovite mica with water vapor and liquid water under ultraclean conditions.
View article: Tuning a Two-Impurity Kondo System by a Moiré Superstructure
Tuning a Two-Impurity Kondo System by a Moiré Superstructure Open
Two-impurity Kondo models are paradigmatic for correlated spin-fermion systems. Working with Mn atoms on Au(111) covered by a monolayer of MoS2, we tune the interadatom exchange via the adatom distance and the adatom-substrate exchange via…
View article: Real-space investigation of polarons in hematite Fe2O3
Real-space investigation of polarons in hematite Fe2O3 Open
In polarizable materials, electronic charge carriers interact with the surrounding ions, leading to quasiparticle behaviour. The resulting polarons play a central role in many materials properties including electrical transport, optical pr…
View article: Hematite $α-Fe_{2}O_{3}(0001)$ in top and side view: resolving long-standing controversies about its surface structure
Hematite $α-Fe_{2}O_{3}(0001)$ in top and side view: resolving long-standing controversies about its surface structure Open
Hematite $α-Fe_{2}O_{3}(0001)$ is the most-investigated iron oxide model system in photo and electrocatalytic research. The rich chemistry of Fe and O allows for many bulk and surface transformations, but their control is challenging. This…
View article: Resolving the intrinsic short-range ordering of K+ ions on cleaved muscovite mica
Resolving the intrinsic short-range ordering of K+ ions on cleaved muscovite mica Open
View article: Tuning a two-impurity Kondo system by a moiré superstructure
Tuning a two-impurity Kondo system by a moiré superstructure Open
Two-impurity Kondo models are paradigmatic for correlated spin-fermion systems. Working with Mn atoms on Au(111) covered by a monolayer of MoS$_2$, we tune the inter-adatom exchange via the adatom distance and the adatom-substrate exchange…
View article: Evolution of the surface atomic structure of multielement oxide films: curse or blessing?
Evolution of the surface atomic structure of multielement oxide films: curse or blessing? Open
Tracking the alterations in atomic-level surface structures of complex oxide films is a practical approach for achieving ideal film stoichiometries and surface morphologies.
View article: Water Structures Reveal Local Hydrophobicity on the In<sub>2</sub>O<sub>3</sub>(111) Surface
Water Structures Reveal Local Hydrophobicity on the In<sub>2</sub>O<sub>3</sub>(111) Surface Open
Clean oxide surfaces are generally hydrophilic. Water molecules anchor at undercoordinated surface metal atoms that act as Lewis acid sites, and they are stabilized by H bonds to undercoordinated surface oxygens. The large unit cell of In<…
View article: Reconstruction changes drive surface diffusion and determine the flatness of oxide surfaces
Reconstruction changes drive surface diffusion and determine the flatness of oxide surfaces Open
Surface diffusion on metal oxides is key in many areas of materials technology, yet it has been scarcely explored at the atomic scale. This work provides phenomenological insights from scanning tunneling microscopy on the link between surf…
View article: Single Rh Adatoms Stabilized on α-Fe<sub>2</sub>O<sub>3</sub>(1102) by Coadsorbed Water
Single Rh Adatoms Stabilized on α-Fe<sub>2</sub>O<sub>3</sub>(1102) by Coadsorbed Water Open
Oxide-supported single-atom catalysts are commonly modeled as a metal atom substituting surface cation sites in a low-index surface. Adatoms with dangling bonds will inevitably coordinate molecules from the gas phase, and adsorbates such a…
View article: Two-dimensional surface phase diagram of a multicomponent perovskite oxide: <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:msub><mml:mi>La</mml:mi><mml:mrow><mml:mn>0.8</mml:mn></mml:mrow></mml:msub><mml:msub><mml:mi>Sr</mml:mi><mml:mrow><mml:mn>0.2</mml:mn></mml:mrow></mml:msub><mml:msub><mml:mi>MnO</mml:mi><mml:mn>3</mml:mn></mml:msub><mml:mrow><mml:mo>(</mml:mo><mml:mn>110</mml:mn><mml:mo>)</mml:mo></mml:mrow></mml:mrow></mml:math>
Two-dimensional surface phase diagram of a multicomponent perovskite oxide: Open
The many surface reconstructions of (110)-oriented lanthanum--strontium manganite (La$_{0.8}$Sr$_{0.2}$MnO$_3$, LSMO) were followed as a function of the oxygen chemical potential ($\mu_\text{O}$) and the surface cation composition. Decreas…
View article: Quest for a pristine unreconstructed <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:msub><mml:mi>SrTiO</mml:mi><mml:mn>3</mml:mn></mml:msub><mml:mrow><mml:mo>(</mml:mo><mml:mn>001</mml:mn><mml:mo>)</mml:mo></mml:mrow></mml:mrow></mml:math> surface: An atomically resolved study via noncontact atomic force microscopy
Quest for a pristine unreconstructed surface: An atomically resolved study via noncontact atomic force microscopy Open
The surfaces of perovskite oxides affect their functional properties, and while a bulk-truncated (1$\times$1) termination is generally assumed, its existence and stability is controversial. Here, such a surface is created by cleaving the p…
View article: 2D Surface Phase Diagram of a Multicomponent Perovskite Oxide: La$_{0.8}$Sr$_{0.2}$MnO$_3$(110)
2D Surface Phase Diagram of a Multicomponent Perovskite Oxide: La$_{0.8}$Sr$_{0.2}$MnO$_3$(110) Open
The many surface reconstructions of (110)-oriented lanthanum--strontium manganite (La$_{0.8}$Sr$_{0.2}$MnO$_3$, LSMO) were followed as a function of the oxygen chemical potential ($μ_\text{O}$) and the surface cation composition. Decreasin…
View article: A Model System for Photocatalysis: Ti-Doped α-Fe<sub>2</sub>O<sub>3</sub>(1102) Single-Crystalline Films
A Model System for Photocatalysis: Ti-Doped α-Fe<sub>2</sub>O<sub>3</sub>(1102) Single-Crystalline Films Open
Hematite (α-Fe2O3) is one of the most investigated anode materials for photoelectrochemical water splitting. Its efficiency improves by doping with Ti, but the underlying mechanisms are not understood. One hurdle is s…