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  1. Article ; Online: Defects and nanostrain gradients control phase transition mechanisms in single crystal high-voltage lithium spinel.

    Martens, Isaac / Vostrov, Nikita / Mirolo, Marta / Leake, Steven J / Zatterin, Edoardo / Zhu, Xiaobo / Wang, Lianzhou / Drnec, Jakub / Richard, Marie-Ingrid / Schulli, Tobias U

    Nature communications

    2023  Volume 14, Issue 1, Page(s) 6975

    Abstract: Lithiation dynamics and phase transition mechanisms in most battery cathode materials remain poorly understood, because of the challenge in differentiating inter- and intra-particle heterogeneity. In this work, the structural evolution inside ... ...

    Abstract Lithiation dynamics and phase transition mechanisms in most battery cathode materials remain poorly understood, because of the challenge in differentiating inter- and intra-particle heterogeneity. In this work, the structural evolution inside Li
    Language English
    Publishing date 2023-11-01
    Publishing country England
    Document type Journal Article
    ZDB-ID 2553671-0
    ISSN 2041-1723 ; 2041-1723
    ISSN (online) 2041-1723
    ISSN 2041-1723
    DOI 10.1038/s41467-023-42285-4
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  2. Article ; Online: Imaging the strain evolution of a platinum nanoparticle under electrochemical control.

    Atlan, Clément / Chatelier, Corentin / Martens, Isaac / Dupraz, Maxime / Viola, Arnaud / Li, Ni / Gao, Lu / Leake, Steven J / Schülli, Tobias U / Eymery, Joël / Maillard, Frédéric / Richard, Marie-Ingrid

    Nature materials

    2023  Volume 22, Issue 6, Page(s) 754–761

    Abstract: Surface strain is widely employed in gas phase catalysis and electrocatalysis to control the binding energies of adsorbates on active sites. However, in situ or operando strain measurements are experimentally challenging, especially on nanomaterials. ... ...

    Abstract Surface strain is widely employed in gas phase catalysis and electrocatalysis to control the binding energies of adsorbates on active sites. However, in situ or operando strain measurements are experimentally challenging, especially on nanomaterials. Here we exploit coherent diffraction at the new fourth-generation Extremely Brilliant Source of the European Synchrotron Radiation Facility to map and quantify strain within individual Pt catalyst nanoparticles under electrochemical control. Three-dimensional nanoresolution strain microscopy, together with density functional theory and atomistic simulations, show evidence of heterogeneous and potential-dependent strain distribution between highly coordinated ({100} and {111} facets) and undercoordinated atoms (edges and corners), as well as evidence of strain propagation from the surface to the bulk of the nanoparticle. These dynamic structural relationships directly inform the design of strain-engineered nanocatalysts for energy storage and conversion applications.
    Language English
    Publishing date 2023-04-24
    Publishing country England
    Document type Journal Article
    ZDB-ID 2088679-2
    ISSN 1476-4660 ; 1476-1122
    ISSN (online) 1476-4660
    ISSN 1476-1122
    DOI 10.1038/s41563-023-01528-x
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  3. Article ; Online: Nanoscale Mapping of the 3D Strain Tensor in a Germanium Quantum Well Hosting a Functional Spin Qubit Device.

    Corley-Wiciak, Cedric / Richter, Carsten / Zoellner, Marvin H / Zaitsev, Ignatii / Manganelli, Costanza L / Zatterin, Edoardo / Schülli, Tobias U / Corley-Wiciak, Agnieszka A / Katzer, Jens / Reichmann, Felix / Klesse, Wolfgang M / Hendrickx, Nico W / Sammak, Amir / Veldhorst, Menno / Scappucci, Giordano / Virgilio, Michele / Capellini, Giovanni

    ACS applied materials & interfaces

    2023  Volume 15, Issue 2, Page(s) 3119–3130

    Abstract: A strained Ge quantum well, grown on a SiGe/Si virtual substrate and hosting two electrostatically defined hole spin qubits, is nondestructively investigated by synchrotron-based scanning X-ray diffraction microscopy to determine all its Bravais lattice ... ...

    Abstract A strained Ge quantum well, grown on a SiGe/Si virtual substrate and hosting two electrostatically defined hole spin qubits, is nondestructively investigated by synchrotron-based scanning X-ray diffraction microscopy to determine all its Bravais lattice parameters. This allows rendering the three-dimensional spatial dependence of the six strain tensor components with a lateral resolution of approximately 50 nm. Two different spatial scales governing the strain field fluctuations in proximity of the qubits are observed at <100 nm and >1 μm, respectively. The short-ranged fluctuations have a typical bandwidth of 2 × 10
    Language English
    Publishing date 2023-01-04
    Publishing country United States
    Document type Journal Article
    ISSN 1944-8252
    ISSN (online) 1944-8252
    DOI 10.1021/acsami.2c17395
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  4. Article: Bragg coherent diffraction imaging with the CITIUS charge-integrating detector.

    Grimes, Michael / Pauwels, Kristof / Schülli, Tobias U / Martin, Thierry / Fajardo, Pablo / Douissard, Paul-Antoine / Kocsis, Menyhert / Nishino, Haruki / Ozaki, Kyosuke / Honjo, Yoshiaki / Nishiyama Hiraki, Toshiyuki / Joti, Yasumasa / Hatsui, Takaki / Levi, Mor / Rabkin, Eugen / Leake, Steven J / Richard, Marie-Ingrid

    Journal of applied crystallography

    2023  Volume 56, Issue Pt 4, Page(s) 1032–1037

    Abstract: The CITIUS detector is a next-generation high-speed X-ray imaging detector. It has integrating-type pixels and is designed to show a consistent linear response at a frame rate of 17.4 kHz, which results in a saturation count rate of over 30 Mcps ... ...

    Abstract The CITIUS detector is a next-generation high-speed X-ray imaging detector. It has integrating-type pixels and is designed to show a consistent linear response at a frame rate of 17.4 kHz, which results in a saturation count rate of over 30 Mcps pixel
    Language English
    Publishing date 2023-06-12
    Publishing country United States
    Document type Journal Article
    ZDB-ID 2020879-0
    ISSN 1600-5767 ; 0021-8898
    ISSN (online) 1600-5767
    ISSN 0021-8898
    DOI 10.1107/S1600576723004314
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  5. Article ; Online: Author Correction: Epitaxial growth of an atom-thin layer on a LiNi

    Zhu, Xiaobo / Schülli, Tobias U / Yang, Xiaowei / Lin, Tongen / Hu, Yuxiang / Cheng, Ningyan / Fujii, Hiroki / Ozawa, Kiyoshi / Cowie, Bruce / Gu, Qinfen / Zhou, Si / Cheng, Zhenxiang / Du, Yi / Wang, Lianzhou

    Nature communications

    2022  Volume 13, Issue 1, Page(s) 5450

    Language English
    Publishing date 2022-09-16
    Publishing country England
    Document type Published Erratum
    ZDB-ID 2553671-0
    ISSN 2041-1723 ; 2041-1723
    ISSN (online) 2041-1723
    ISSN 2041-1723
    DOI 10.1038/s41467-022-33219-7
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  6. Article: In Situ Nano-Indentation of a Gold Sub-Micrometric Particle Imaged by Multi-Wavelength Bragg Coherent X-ray Diffraction.

    Lauraux, Florian / Labat, Stéphane / Richard, Marie-Ingrid / Leake, Steven J / Zhou, Tao / Kovalenko, Oleg / Rabkin, Eugen / Schülli, Tobias U / Thomas, Olivier / Cornelius, Thomas W

    Materials (Basel, Switzerland)

    2022  Volume 15, Issue 18

    Abstract: The microstructure of a sub-micrometric gold crystal during nanoindentation is visualized by in situ multi-wavelength Bragg coherent X-ray diffraction imaging. The gold crystal is indented using a custom-built atomic force microscope. A band of ... ...

    Abstract The microstructure of a sub-micrometric gold crystal during nanoindentation is visualized by in situ multi-wavelength Bragg coherent X-ray diffraction imaging. The gold crystal is indented using a custom-built atomic force microscope. A band of deformation attributed to a shear band oriented along the (221) lattice plane is nucleated at the lower left corner of the crystal and propagates towards the crystal center with increasing applied mechanical load. After complete unloading, an almost strain-free and defect-free crystal is left behind, demonstrating a pseudo-elastic behavior that can only be studied by in situ imaging while it is invisible to ex situ examinations. The recovery is probably associated with reversible dislocations nucleation/annihilation at the side surface of the particle and at the particle-substrate interface, a behavior that has been predicted by atomistic simulations. The full recovery of the particle upon unloading sheds new light on extraordinary mechanical properties of metal nanoparticles obtained by solid-state dewetting.
    Language English
    Publishing date 2022-09-06
    Publishing country Switzerland
    Document type Journal Article
    ZDB-ID 2487261-1
    ISSN 1996-1944
    ISSN 1996-1944
    DOI 10.3390/ma15186195
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  7. Article ; Online: Epitaxial growth of an atom-thin layer on a LiNi

    Zhu, Xiaobo / Schülli, Tobias U / Yang, Xiaowei / Lin, Tongen / Hu, Yuxiang / Cheng, Ningyan / Fujii, Hiroki / Ozawa, Kiyoshi / Cowie, Bruce / Gu, Qinfen / Zhou, Si / Cheng, Zhenxiang / Du, Yi / Wang, Lianzhou

    Nature communications

    2022  Volume 13, Issue 1, Page(s) 1565

    Abstract: Transition metal dissolution in cathode active material for Li-based batteries is a critical aspect that limits the cycle life of these devices. Although several approaches have been proposed to tackle this issue, this detrimental process is not yet ... ...

    Abstract Transition metal dissolution in cathode active material for Li-based batteries is a critical aspect that limits the cycle life of these devices. Although several approaches have been proposed to tackle this issue, this detrimental process is not yet overcome. Here, benefitting from the knowledge developed in the semiconductor research field, we apply an epitaxial method to construct an atomic wetting layer of LaTMO
    Language English
    Publishing date 2022-03-23
    Publishing country England
    Document type Journal Article
    ZDB-ID 2553671-0
    ISSN 2041-1723 ; 2041-1723
    ISSN (online) 2041-1723
    ISSN 2041-1723
    DOI 10.1038/s41467-022-28963-9
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  8. Book ; Online: Nanoscale mapping of the full strain tensor, rotation and composition in partially relaxed In$_x$Ga$_{1-x}$N layers by scanning X-ray diffraction microscopy

    Richter, Carsten / Kaganer, Vladimir M. / Even, Armelle / Dussaigne, Amélie / Ferret, Pierre / Barbier, Frédéric / Vaillant, Yves-Matthieu Le / Schülli, Tobias U.

    2022  

    Abstract: Strain and composition play a fundamental role in semiconductor physics, since they are means to tune the electronic and optical properties of a material and hence develop new devices. Today it is still a challenge to measure strain in epitaxial systems ... ...

    Abstract Strain and composition play a fundamental role in semiconductor physics, since they are means to tune the electronic and optical properties of a material and hence develop new devices. Today it is still a challenge to measure strain in epitaxial systems in a non-destructive manner which becomes especially important in strain-engineered devices that often are subjected to intense stress. In this work, we demonstrate a microscopic mapping of the full tensors of strain and lattice orientation by means of scanning X-ray diffraction microscopy. We develope a formalism to extract all components of strain and orientation from a set of scanning diffraction measurements and apply the technique to a patterned In$_x$Ga$_{1-x}$N double layer to study strain relaxation and indium incorporation phenomena. The contributions due to varying indium content and threading dislocations are separated and analyzed.
    Keywords Condensed Matter - Materials Science
    Subject code 530
    Publishing date 2022-03-28
    Publishing country us
    Document type Book ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  9. Article ; Online: Nanoscale Mapping of the 3D Strain Tensor in a Germanium Quantum Well Hosting a Functional Spin Qubit Device

    Corley-Wiciak, Cedric / Richter, Carsten / Zoellner, Marvin H. / Zaitsev, Ignatii / Manganelli, Costanza L. / Zatterin, Edoardo / Schülli, Tobias U. / Corley-Wiciak, Agnieszka A. / Katzer, Jens / Reichmann, Felix / Klesse, Wolfgang M. / Hendrickx, Nico W. / Sammak, Amir / Veldhorst, Menno / Scappucci, Giordano / Virgilio, Michele / Capellini, Giovanni

    ACS Applied Materials & Interfaces. 2023 Jan. 04, v. 15, no. 2 p.3119-3130

    2023  

    Abstract: A strained Ge quantum well, grown on a SiGe/Si virtual substrate and hosting two electrostatically defined hole spin qubits, is nondestructively investigated by synchrotron-based scanning X-ray diffraction microscopy to determine all its Bravais lattice ... ...

    Abstract A strained Ge quantum well, grown on a SiGe/Si virtual substrate and hosting two electrostatically defined hole spin qubits, is nondestructively investigated by synchrotron-based scanning X-ray diffraction microscopy to determine all its Bravais lattice parameters. This allows rendering the three-dimensional spatial dependence of the six strain tensor components with a lateral resolution of approximately 50 nm. Two different spatial scales governing the strain field fluctuations in proximity of the qubits are observed at <100 nm and >1 μm, respectively. The short-ranged fluctuations have a typical bandwidth of 2 × 10-⁴ and can be quantitatively linked to the compressive stressing action of the metal electrodes defining the qubits. By finite element mechanical simulations, it is estimated that this strain fluctuation is increased up to 6 × 10-⁴ at cryogenic temperature. The longer-ranged fluctuations are of the 10-³ order and are associated with misfit dislocations in the plastically relaxed virtual substrate. From this, energy variations of the light and heavy-hole energy maxima of the order of several 100 μeV and 1 meV are calculated for electrodes and dislocations, respectively. These insights over material-related inhomogeneities may feed into further modeling for optimization and design of large-scale quantum processors manufactured using the mainstream Si-based microelectronics technology.
    Keywords X-ray diffraction ; electrostatic interactions ; energy ; finite element analysis ; germanium ; microscopy ; temperature ; lattice strain ; synchrotron ; quantum computing ; silicon germanium ; thermomechanical FEM simulation
    Language English
    Dates of publication 2023-0104
    Size p. 3119-3130.
    Publishing place American Chemical Society
    Document type Article ; Online
    ISSN 1944-8252
    DOI 10.1021/acsami.2c17395
    Database NAL-Catalogue (AGRICOLA)

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  10. Article ; Online: Facet-Dependent Strain Determination in Electrochemically Synthetized Platinum Model Catalytic Nanoparticles.

    Carnis, Jérôme / Gao, Lu / Fernández, Sara / Chahine, Gilbert / Schülli, Tobias U / Labat, Stéphane / Hensen, Emiel J M / Thomas, Olivier / Hofmann, Jan P / Richard, Marie-Ingrid

    Small (Weinheim an der Bergstrasse, Germany)

    2021  Volume 17, Issue 18, Page(s) e2007702

    Abstract: Studying model nanoparticles is one approach to better understand the structural evolution of a catalyst during reactions. These nanoparticles feature well-defined faceting, offering the possibility to extract structural information as a function of ... ...

    Abstract Studying model nanoparticles is one approach to better understand the structural evolution of a catalyst during reactions. These nanoparticles feature well-defined faceting, offering the possibility to extract structural information as a function of facet orientation and compare it to theoretical simulations. Using Bragg Coherent X-ray Diffraction Imaging, the uniformity of electrochemically synthesized model catalysts is studied, here high-index faceted tetrahexahedral (THH) platinum nanoparticles at ambient conditions. 3D images of an individual nanoparticle are obtained, assessing not only its shape but also the specific components of the displacement and strain fields both at the surface of the nanocrystal and inside. The study reveals structural diversity of shapes and defects, and shows that the THH platinum nanoparticles present strain build-up close to facets and edges. A facet recognition algorithm is further applied to the imaged nanoparticles and provides facet-dependent structural information for all measured nanoparticles. In the context of strain engineering for model catalysts, this study provides insight into the shape-controlled synthesis of platinum nanoparticles with high-index facets.
    Language English
    Publishing date 2021-03-18
    Publishing country Germany
    Document type Journal Article ; Research Support, Non-U.S. Gov't
    ZDB-ID 2168935-0
    ISSN 1613-6829 ; 1613-6810
    ISSN (online) 1613-6829
    ISSN 1613-6810
    DOI 10.1002/smll.202007702
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