cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.15151/esrf-es-1168807293
title: In situ H2 reduction of CeO2 at high temperatures.

description: In this experiment we want to resolve once and for all which is the spectroscopic signature of Ce3+ in CeO2 by performing a in situ temperature H2 reduction of CeO2.
DOI: 10.15151/esrf-es-1102186757
title: Origin of paired fins: insights from exceptionally preserved jawless fish fossils

description: Paired appendages represent a key innovation of vertebrates: their origins set the stage for new modes of swimming and the eventual transition from water to land. However, the origins of fins and their supporting skeletal girdles remains a mystery and one of the “holy grails” of vertebrate evolution. We have uncovered new evidence regarding key theory on the origin of the shoulder girdle: that it derived from an ancestral gill arch. However, this theory so far lacks support from the fossil record. The goal of this project is to investigate the skull and shoulder anatomy of key ‘transitional’ jawless fishes near the origin of jawed vertebrates, known as osteostracans to test our new hypothesis. We will use synchrotron tomography to illuminate the structure of the braincase, blood supply, and innervation of exceptionally preserved osteostracan fossils. These will provide insights into the relationship between the gill skeleton and the origin of the shoulder and paired fins.
DOI: 10.15151/esrf-es-1102188105
title: Imaging charge density wave defects

description: We propose to image Charge density waves (CDW) defects in Chromium, the archetypal material of CDW, by Bragg Coherent Diffraction Imaging (BCDI) at a CDW satellite reflection, taking advantage of the new ESRF source. If successful, we will try to relate the CDW defects to structural defects by complementing the data with BCDI at main reflections, and further invetigate the spin flip transition, where anomalies have previously been seen at a CDW satellite reflection. While opening new perspectives for imaging electronic orders, this experiment will shed light on the coupling in Cr between the lattice, the CDWs and the magnetic order.
DOI: 10.15151/esrf-es-1109775886
title: Hybrid Luminescent Materials by Incorporating Metal Halides into Metal-Organic and Covalent Organic Reticular Templates

description: We explore various reticular porous materials, such as metal-organic and covalent organic frameworks and polyhedra as molecular templates for formation of confined atomically defined solid-state structures within the pores by incorporation of main group metal halide (MH) compounds. MH materials are known to exhibit exceptional luminescence and other optoelectronic properties. Single crystals of the porous materials can be employed as molecular templates for crystallizing MHs within the cavities. In this way, geometry, functionality, electric charge and topology of the pores determines the structure of resulting metal halide units, what might enable rational synthesis of desired solids and gives access to structures which are not known to form otherwise, and thus further tailoring optoelectronic properties. Our current work focuses on explorations of various frameworks and polyhedra and MHs as hosts and guests, respectively, offering vast compositional and structural space to dive in.
DOI: 10.15151/esrf-es-1101291159
title: Structure and function of neuronal circuits underlying working memory-related sequential activity

description: Working memory is thought to be mediated by stereotypic neuronal activity patterns in the brain such as neural sequences, in which subsets of neurons are sequentially active in a stereotypical temporal order. Neuronal interactions are fundamentally constrained by the synaptic wiring diagram, but the connectivity between neurons that participate in neuronal sequences is not known, because this requires measuring both the connectivity and activity of hundreds of neurons from the same specimen. Here we propose to use the ID16A nanoimaging beamline to image the connectivity between neurons in a brain sample of a mouse from which we have previously recorded the activity of hundreds of neurons while the mouse was performing a working memory task. By combining functional imaging in behaving mice with X-ray connectomics we will study the structure of neuronal circuits underlying working memory-related sequential neuronal activity.
DOI: 10.15151/esrf-es-1100165551
title: Determination of actinide local chemical environnement and valence state in Plutonium(IV) or Uranium(VI) gels with citric acid or glycine

description: The aim of this proposal is to investigate the valence state and the local chemical environment of uranium and plutonium gels obtained with reaction of actinide(s) nitrates with citric acid and glycine by X-ray Absorption techniques (EXAFS and HERFD-XANES). More specifically, EXAFS will be conducted in order to probe the Pu and U local environments. Moreover, HERDF-XANES on simple and mixed actinides gels will be used to determine oxidation state of U and Pu. These gels are used as precursors for Solution Combustion Synthesis of mixed actinides oxides. Indeed, gels preparation (glycine/uranium or citric acid/uranium ratio...) strongly affect actinide oxides characteristics after combustion. Our objective is to correlate differences observed in powders (oxidation state, residual carbon content) and to initial gel properties.
DOI: 10.15151/esrf-es-1100166496
title: Elucidation of the temperature dependence of transition metal (Ni, Co, Mn) dissolution as a function of Ni- and Mn- content of CAMs for Li-i

description: Operation stability of cathode active materials (CAMs) for Li-ion batteries at elevated temperatures is a major bottleneck to overcome for their broad market penetration. Ageing mechanisms, such as the dissolution of transition metals (TMs) and their subsequent deposition on the anode have been shown to significantly accelerate with increasing temperature, resulting in cell ageing and eventually failure. Within this proposal, we aim for a comparative evaluation of the impact of temperature, upper cut-off potential and TM composition on the dissolution of TMs from conventional (NCM111) and Ni-rich (NCM811 and NCA) CAMs. The dissolved TMs are quantified under operando conditions by probing XANES at Mn, Co, and Ni-K-edges within the electrolyte, as well as on the counter electrode, using a special cell setup which enables both heating and the spatial resolution of TMs within the cell volume.
DOI: 10.15151/esrf-es-1100168392
title: Three-dimensional imaging of ferromagnetic vortex cores and singularities

description: Magnetic vortices appear even in ferromagnetic films thin enough to behave as 2D samples. In such cases, a winding pattern of in-plane magnetization surrounds a perpendicular core, whose extent is typically a few nanometers. If the film thickness increases, transmission measurements seem to indicate that the core diameter always remain below ca. 100 nm; on the other hand, simulations hint at a more complex, 3D structure reminiscent of a barrel. We propose to image vortex cores (VCs) using magnetic coherent diffraction imaging (CDI) on micron-sized CoGd beads. In these systems, we have confirmed the presence of vortices with Magnetic Force Microscopy as well as XMCD-PEEM, with VCs over 200 nm in diameter from MFM. Thus, for the first time in 3D magnetic imaging, the resolution would be sufficient to reveal the full structure of such a 3D vortex configuration. Moreover, prior sample demagnetization should promote the presence of micromagnetic singularities (Bloch points) in the cores.
DOI: 10.15151/esrf-es-1100176088
title: Orbital structure of charge density waves in BaNi2As2

description: BaNi2As2 is a structural, but non-magnetic, homologue of the parent compound of the Fe-based superconductors BaFe2As2. An incommensurate charge density wave (I-CDW) and commensurate CDW (C-CDW) are observed next to an orthorhombic and triclinic structural transition, respectively. Even though the formation of the I-CDW is related to a complete softening of an optical phonon branch it is seen to be of unconventional nature. Elastoresitance measurements reveal an electronic nematic phase suggesting this system to be candidate system for charge-driven electronic nematicity. Recent near edge x-ray absorption fine structure measurements show a connection of the CDWs with orbital ordering, suggesting that nematicity could rise from orbital fluctuations. We propose to carry out polarization dependent resonant inelastic x-ray scattering (RIXS) study of the CDWs reflections at the Ni L3 edge (~852.8 eV) to investigate the orbital structure of the CDWs.
DOI: 10.15151/esrf-es-1100173918
title: Operando characterization of catalyst nanoparticle decay pathways during high current CO2 electrolysis accelerated stress tests

description: In this proposal, we will use high energy/flux complementary synchrotron radiation techniques at beamline ID31 to systematically investigate how catalyst type and corresponding NP size affects cathode catalyst layer stability and CO2 electrolysis performance under reported accelerated stress tests (ASTs). Simultaneously, building upon our previous work at ESRF, we will track water and ionic distributions throughout the MEA at different stages during the ASTs to differentiate catalyst decay mechanisms from changes in mass transport-related decay, which may arise from physical gas diffusion electrode (GDE) degradation leading to changes in properties such as porosity and hydrophobicity. Overall, in this proposal we seek to understand state-of-the-art CO2 electrolysis device degradation mechanisms through AST protocols by probing the operando chemical and morphological changes to the catalyst layer and its local hydration environment during operation.
DOI: 10.6084/m9.figshare.22682344
title: idealized model data

description: idealized model data
DOI: 10.5517/ccdc.csd.cc2c5rr2
title: CCDC 2180284: Experimental Crystal Structure Determination

description: Related Article: Andryj M. Borys, Lorraine A. Malaspina, Simon Grabowsky, Eva Hevia|2022|Angew.Chem.,Int.Ed.|61|e202209797|doi:10.1002/anie.202209797
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2c5rs3
title: CCDC 2180285: Experimental Crystal Structure Determination

description: Related Article: Andryj M. Borys, Lorraine A. Malaspina, Simon Grabowsky, Eva Hevia|2022|Angew.Chem.,Int.Ed.|61|e202209797|doi:10.1002/anie.202209797
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2c5rt4
title: CCDC 2180286: Experimental Crystal Structure Determination

description: Related Article: Andryj M. Borys, Lorraine A. Malaspina, Simon Grabowsky, Eva Hevia|2022|Angew.Chem.,Int.Ed.|61|e202209797|doi:10.1002/anie.202209797
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2c5t8n
title: CCDC 2180331: Experimental Crystal Structure Determination

description: Related Article: Alberto Pérez‐Bitrián, Santiago Alvarez, Miguel Baya, Jorge Echeverría, Antonio Martín, Jesús Orduna, Babil Menjón|2023|Chem.-Eur.J.|29|e202203181|doi:10.1002/chem.202203181
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2c5t9p
title: CCDC 2180332: Experimental Crystal Structure Determination

description: Related Article: Alberto Pérez‐Bitrián, Santiago Alvarez, Miguel Baya, Jorge Echeverría, Antonio Martín, Jesús Orduna, Babil Menjón|2023|Chem.-Eur.J.|29|e202203181|doi:10.1002/chem.202203181
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2c5tbq
title: CCDC 2180333: Experimental Crystal Structure Determination

description: Related Article: Alberto Pérez‐Bitrián, Santiago Alvarez, Miguel Baya, Jorge Echeverría, Antonio Martín, Jesús Orduna, Babil Menjón|2023|Chem.-Eur.J.|29|e202203181|doi:10.1002/chem.202203181
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2c5xs8
title: CCDC 2180440: Experimental Crystal Structure Determination

description: Related Article: Silin Xu, Dandan Jiang, Zejun Peng, Long Hu, Tao Liu, Lili Zhao, Junfeng Zhao|2022|Angew.Chem.,Int.Ed.|61|e202212247|doi:10.1002/anie.202212247
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2c5zp7
title: CCDC 2180499: Experimental Crystal Structure Determination

description: Related Article: Ilya V. Okladnikov, Yaroslav D. Boyko, Yulia V. Nelyubina, Sema L. Ioffe, Alexey Yu. Sukhorukov|2022|Eur.J.Org.Chem.|2022|e202200796|doi:10.1002/ejoc.202200796
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2c5zq8
title: CCDC 2180500: Experimental Crystal Structure Determination

description: Related Article: Ilya V. Okladnikov, Yaroslav D. Boyko, Yulia V. Nelyubina, Sema L. Ioffe, Alexey Yu. Sukhorukov|2022|Eur.J.Org.Chem.|2022|e202200796|doi:10.1002/ejoc.202200796
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2c5zr9
title: CCDC 2180501: Experimental Crystal Structure Determination

description: Related Article: Ilya V. Okladnikov, Yaroslav D. Boyko, Yulia V. Nelyubina, Sema L. Ioffe, Alexey Yu. Sukhorukov|2022|Eur.J.Org.Chem.|2022|e202200796|doi:10.1002/ejoc.202200796
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2c60g2
title: CCDC 2180523: Experimental Crystal Structure Determination

description: Related Article: André Platzek, Selina Juber, Cem Yurtseven, Shota Hasegawa, Laura Schneider, Christoph Drechsler, Kristina E. Ebbert, Robin Rudolf, Julian J. Holstein, Lars V. Schäfer, Guido H. Clever|2022|Angew.Chem.,Int.Ed.|61|e202209305|doi:10.1002/anie.202209305
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2c60h3
title: CCDC 2180524: Experimental Crystal Structure Determination

description: Related Article: André Platzek, Selina Juber, Cem Yurtseven, Shota Hasegawa, Laura Schneider, Christoph Drechsler, Kristina E. Ebbert, Robin Rudolf, Julian J. Holstein, Lars V. Schäfer, Guido H. Clever|2022|Angew.Chem.,Int.Ed.|61|e202209305|doi:10.1002/anie.202209305
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2c61k6
title: CCDC 2180557: Experimental Crystal Structure Determination

description: Related Article: Dipendu Mandal, Ting Chen, Zheng-Wang Qu, Stefan Grimme, Douglas W. Stephan|2022|Angew.Chem.,Int.Ed.|61|e202209241|doi:10.1002/anie.202209241
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2c61l7
title: CCDC 2180558: Experimental Crystal Structure Determination

description: Related Article: Dipendu Mandal, Ting Chen, Zheng-Wang Qu, Stefan Grimme, Douglas W. Stephan|2022|Angew.Chem.,Int.Ed.|61|e202209241|doi:10.1002/anie.202209241
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2c61m8
title: CCDC 2180559: Experimental Crystal Structure Determination

description: Related Article: Dipendu Mandal, Ting Chen, Zheng-Wang Qu, Stefan Grimme, Douglas W. Stephan|2022|Angew.Chem.,Int.Ed.|61|e202209241|doi:10.1002/anie.202209241
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc29b25x
title: CCDC 2124838: Experimental Crystal Structure Determination

description: Related Article: Hui‐Ping Xiao, Ya‐Shuai Hao, Xin‐Xiong Li, Peng Xu, Ming‐Dong Huang, Shou‐Tian Zheng|2022|Angew.Chem.,Int.Ed.|61|e202210019|doi:10.1002/anie.202210019
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2c61n9
title: CCDC 2180560: Experimental Crystal Structure Determination

description: Related Article: Dipendu Mandal, Ting Chen, Zheng-Wang Qu, Stefan Grimme, Douglas W. Stephan|2022|Angew.Chem.,Int.Ed.|61|e202209241|doi:10.1002/anie.202209241
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2c62sg
title: CCDC 2180595: Experimental Crystal Structure Determination

description: Related Article: Mingying Shi|2022|CSD Communication|||
description: Related Article: Mingying Shi,Qi Zhang, Jiali Gao, Xueling Mi, Sanzhong Luo|2022|Angew.Chem.,Int.Ed.|61|e202209044|doi:10.1002/anie.202209044
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2c64c3
title: CCDC 2180644: Experimental Crystal Structure Determination

description: Related Article: Rafael Rodríguez, Elena Rivadulla‐Cendal, Manuel Fernández‐Míguez, Berta Fernández, Katsuhiro Maeda, Emilio Quiñoá, Félix Freire|2022|Angew.Chem.,Int.Ed.|61|e202209953|doi:10.1002/anie.202209953
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2c64g6
title: CCDC 2180647: Experimental Crystal Structure Determination

description: Related Article: Rafael Rodríguez, Elena Rivadulla‐Cendal, Manuel Fernández‐Míguez, Berta Fernández, Katsuhiro Maeda, Emilio Quiñoá, Félix Freire|2022|Angew.Chem.,Int.Ed.|61|e202209953|doi:10.1002/anie.202209953
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2c6d22
title: CCDC 2180883: Experimental Crystal Structure Determination

description: Related Article: Brendan Horst, Daniël S. Verdoorn, Sven Hennig, Gydo van der Heijden, Eelco Ruijter|2022|Angew.Chem.,Int.Ed.|61|e202210592|doi:10.1002/anie.202210592
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.