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RESEARCH PAPER · APL Materials · 2016

Perspective: Toward “synthesis by design”: Exploring atomic correlations during inorganic materials synthesis

L. Soderholm, John F. Mitchell

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Perspective: Toward “synthesis by design”: Exploring atomic correlations during inorganic materials synthesisOriginalPreface: Special Topic on Materials Genome11Th3[Th6(OH)4O4(H2O)6](SO4)12(H2O)13: A Self-Assembled Microporous Open-Framework Thorium Sulfate32Toward Reaction-by-Design: Achieving Kinetic Control of Solid State Chemistry with Metathesis111Linking Solution Structures and Energetics: Thorium Nitrate Complexes17A multi-purpose reaction cell for the investigation of reactions under solvothermal conditions33Clusters, Assemble: Growth of Intermetallic Compounds from Metal Flux Reactions53Speciation of Actinide Complexes, Clusters, and Nanostructures in Solution2Combined computational and experimental investigation of the La 2 CuO 4– x S x (0 ≤ x ≤ 4) quaternary system9The 2019 materials by design roadmap322Selective Formation of Yttrium Manganese Oxides through Kinetically Competent Assisted Metathesis Reactions57A Hydride Route to Ternary Alkali Metal Borides: A Case Study of Lithium Nickel Borides30Mechanisms for Tungsten Oxide Nanoparticle Formation in Solvothermal Synthesis: From Polyoxometalates to Crystalline Materials51Heteroanionic Materials by Design: Progress Toward Targeted Properties236Formation Mechanism of Epitaxial Palladium–Platinum Core–Shell Nanocatalysts in a One‐Step Supercritical Synthesis17Yttrium Manganese Oxide Phase Stability and Selectivity Using Lithium Carbonate Assisted Metathesis Reactions17There's no place like real-space: elucidating size-dependent atomic structure of nanomaterials using pair distribution function analysis149Combinatorial Synthesis of Oxysulfides in the Lanthanum–Bismuth-Copper System4Defect-Accommodating Intermediates Yield Selective Low-Temperature Synthesis of YMnO 3 Polymorphs30Active Reaction Control of Cu Redox State Based on Real-Time Feedback from In Situ Synchrotron Measurements12Mixed-Valent Copper Chalcogenides: Tuning Structures and Electronic Properties Using Multiple Anions20Mechanistic insight of KBiQ 2 (Q = S, Se) using panoramic synthesis towards synthesis-by-design27Characterizing Hidden Structures at NSLS-II: Strongly Correlated Electron Systems, Functional Ceramics, Batteries, and Beyond0Resolving Single-layer Nanosheets as Short-lived Intermediates in the Solution Synthesis of FeS22A graph-based network for predicting chemical reaction pathways in solid-state materials synthesis120Predictive Synthesis53In situ scattering studies of material formation during wet-chemical syntheses1Zr 4+ solution structures from pair distribution function analysis34Formation of the Metastable Iron (III) Germanate Fe2GeO5 through Kinetic Control of the Oxidative Reaction0Electrocatalysis on oxide surfaces: Fundamental challenges and opportunities30Guiding epitaxial crystallization of amorphous solids at the nanoscale: Interfaces, stress, and precrystalline order11Antimony nitride discovered by theoretical structure prediction, rapid thermal annealing, and in situ X-ray diffraction12In Situ Studies of the Formation of Tungsten and Niobium Oxide Nanoparticles: Towards Automated Analysis of Reaction Pathways from PDF Analysis using the Pearson Correlation Coefficient18Influence of precursor structure on the formation of tungsten oxide polymorphs0Influence of precursor structure on the formation of tungsten oxide polymorphs1How does crystalline solids form from solution? Crystallization of lanthanide(III) hydroxides0Influence of the Precursor Structure on the Formation of Tungsten Oxide Polymorphs14Mechanistic insights into solvent-guided growth and structure of MoO 2 nanoparticles in solvothermal synthesis5Exploring the Crystallization of Lanthanum(III) and Neodymium(III) Hydroxides from Solution4

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  1. Preface: Special Topic on Materials Genome

    APL Materials · 2016-05-01

    Carolyn L. Phillips, P. B. Littlewood

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  2. Th3[Th6(OH)4O4(H2O)6](SO4)12(H2O)13: A Self-Assembled Microporous Open-Framework Thorium Sulfate

    Inorganic Chemistry · 2016-09-26

    Jian Hung Lin, Geng Bang Jin, L. Soderholm

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  3. Toward Reaction-by-Design: Achieving Kinetic Control of Solid State Chemistry with Metathesis

    Chemistry of Materials · 2016-12-20

    Andrew J. Martinolich, James Richmond Neilson

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  4. Linking Solution Structures and Energetics: Thorium Nitrate Complexes

    The Journal of Physical Chemistry B · 2017-08-17

    S. Skanthakumar, Geng Bang Jin, Jian Hung Lin, Valérie Vallet, L. Soderholm

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  5. A multi-purpose reaction cell for the investigation of reactions under solvothermal conditions

    Review of Scientific Instruments · 2017-10-01

    Niclas Heidenreich, U. Rütt, Milan Köppen, A. Ken Inge, S. Beier, Ann‐Christin Dippel, Ralf Suren, Norbert Stock

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  6. Clusters, Assemble: Growth of Intermetallic Compounds from Metal Flux Reactions

    Accounts of Chemical Research · 2017-12-19

    Susan E. Latturner

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  7. Speciation of Actinide Complexes, Clusters, and Nanostructures in Solution

    Unknown journal · 2018-01-12

    Rami J. Batrice, Jennifer N. Wacker, Karah E. Knope

    Read original paper ↗ ·

  8. Combined computational and experimental investigation of the La 2 CuO 4– x S x (0 ≤ x ≤ 4) quaternary system

    Proceedings of the National Academy of Sciences · 2018-07-17

    Hua He, Chuck-Hou Yee, Daniel McNally, Jack W. Simonson, Shelby Zellman, Mason Klemm, Plamen Kamenov, Gayle Geschwind, A. Zebro, Sanjit Ghose, Jianming Bai, E. Dooryhée, Gabriel Kotliar, M. C. Aronson

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  9. The 2019 materials by design roadmap

    Journal of Physics D Applied Physics · 2018-08-09

    Kirstin Alberi, Marco Buongiorno Nardelli, Andriy Zakutayev, Luboš Mitáš, Stefano Curtarolo, Anubhav Jain, Marco Fornari, Nicola Marzari, Ichiro Takeuchi, Martin L. Green, Mercouri G. Kanatzidis, Mike F Toney, Sergiy I. Butenko, Bryce Meredig, Stephan Lany, Ursula R. Kattner, Albert V. Davydov, Eric S. Toberer, Vladan Stevanović, Aron Walsh, Nam‐Gyu Park, Alán Aspuru‐Guzik, Daniel P. Tabor, Jenny Nelson, James E. Murphy, Anant Setlur, John M. Gregoire, Hong Li, Ruijuan Xiao, Alfred Ludwig, Lane W. Martin, Andrew M. Rappe, Su‐Huai Wei, John D. Perkins

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  10. Selective Formation of Yttrium Manganese Oxides through Kinetically Competent Assisted Metathesis Reactions

    Journal of the American Chemical Society · 2019-01-09

    Paul K. Todd, James Richmond Neilson

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  11. A Hydride Route to Ternary Alkali Metal Borides: A Case Study of Lithium Nickel Borides

    Chemistry - A European Journal · 2019-01-16

    Volodymyr Gvozdetskyi, Michael P. Hanrahan, R. A. Ribeiro, Tae‐Hoon Kim, Lin Zhou, Aaron J. Rossini, Paul C. Canfield, Julia V. Zaikina

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  12. Mechanisms for Tungsten Oxide Nanoparticle Formation in Solvothermal Synthesis: From Polyoxometalates to Crystalline Materials

    The Journal of Physical Chemistry C · 2019-02-06

    Mikkel Juelsholt, Troels Lindahl Christiansen, Kirsten M. Ø. Jensen

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  13. Heteroanionic Materials by Design: Progress Toward Targeted Properties

    Advanced Materials · 2019-03-12

    Jaye K. Harada, Nenian Charles, Kenneth Reinhard Poeppelmeier, James M. Rondinelli

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  14. Formation Mechanism of Epitaxial Palladium–Platinum Core–Shell Nanocatalysts in a One‐Step Supercritical Synthesis

    Advanced Functional Materials · 2019-05-29

    Nils Lau Nyborg Broge, Frederik Søndergaard‐Pedersen, Sanna Sommer, Bo B. Iversen

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  15. Yttrium Manganese Oxide Phase Stability and Selectivity Using Lithium Carbonate Assisted Metathesis Reactions

    Inorganic Chemistry · 2019-11-04

    Paul K. Todd, Antoinette M. M. Smith, James Richmond Neilson

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  16. There's no place like real-space: elucidating size-dependent atomic structure of nanomaterials using pair distribution function analysis

    Nanoscale Advances · 2020-01-01

    Troels Lindahl Christiansen, Susan Cooper, Kirsten M. Ø. Jensen

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  17. Combinatorial Synthesis of Oxysulfides in the Lanthanum–Bismuth-Copper System

    ACS Combinatorial Science · 2020-04-30

    Mitsutaro Umehara, Lan Zhou, Joel A. Haber, Dan Guevarra, Kevin Kan, Paul F. Newhouse, John M. Gregoire

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  18. Defect-Accommodating Intermediates Yield Selective Low-Temperature Synthesis of YMnO 3 Polymorphs

    Inorganic Chemistry · 2020-08-31

    Paul K. Todd, Allison Wustrow, Rebecca D. McAuliffe, Matthew J. McDermott, Gia Thinh Tran, Brennan C. McBride, Ethan D. Boeding, Daniel O’Nolan, Chia-Hao Liu, Shyam Dwaraknath, Karena W. Chapman, Simon J. L. Billinge, Kristin Aslaug Persson, Ashfia Huq, Gabriel M. Veith, James Richmond Neilson

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  19. Active Reaction Control of Cu Redox State Based on Real-Time Feedback from In Situ Synchrotron Measurements

    Journal of the American Chemical Society · 2020-10-22

    Yevgeny Rakita, Daniel O’Nolan, Rebecca D. McAuliffe, Gabriel M. Veith, Peter J. Chupas, Simon J. L. Billinge, Karena W. Chapman

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  20. Mixed-Valent Copper Chalcogenides: Tuning Structures and Electronic Properties Using Multiple Anions

    Chemistry of Materials · 2020-11-17

    James M. Hodges, Yi Xia, Christos D. Malliakas, Tyler J. Slade, Chris M. Wolverton, Mercouri G. Kanatzidis

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  21. Mechanistic insight of KBiQ 2 (Q = S, Se) using panoramic synthesis towards synthesis-by-design

    Chemical Science · 2020-11-23

    Rebecca McClain, Christos D. Malliakas, Jiahong Shen, Jiangang He, Chris M. Wolverton, Gabriela B. González, Mercouri G. Kanatzidis

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  22. Characterizing Hidden Structures at NSLS-II: Strongly Correlated Electron Systems, Functional Ceramics, Batteries, and Beyond

    Synchrotron Radiation News · 2020-12-01

    Milinda Abeykoon, E. Dooryhée, Michael Drakopoulos, Sanjit Ghose, Zhong Zhong

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  23. Resolving Single-layer Nanosheets as Short-lived Intermediates in the Solution Synthesis of FeS

    ACS Materials Letters · 2021-04-27

    Michelle L. Beauvais, Peter J. Chupas, Daniel O’Nolan, John B. Parise, Karena W. Chapman

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  24. A graph-based network for predicting chemical reaction pathways in solid-state materials synthesis

    Nature Communications · 2021-05-25

    Matthew J. McDermott, Shyam Dwaraknath, Kristin Aslaug Persson

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  25. Predictive Synthesis

    Chemistry of Materials · 2021-07-02

    Kirill A. Kovnir

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  26. In situ scattering studies of material formation during wet-chemical syntheses

    Elsevier eBooks · 2021-08-04

    Susanne Linn Skjærvø, Mikkel Juelsholt, Kirsten M. Ø. Jensen

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  27. Zr 4+ solution structures from pair distribution function analysis

    Chemical Science · 2022-01-01

    Magnus Nørgaard Kløve, Rasmus Stubkjær Christensen, Ida Gjerlevsen Nielsen, Sanna Sommer, Mads R. V. Jørgensen, Ann‐Christin Dippel, Bo B. Iversen

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  28. Formation of the Metastable Iron (III) Germanate Fe2GeO5 through Kinetic Control of the Oxidative Reaction

    Chemistry Letters · 2022-02-15

    Kazuo Kakimoto, Yoshiaki Ohki, Saki Takada, Yuya Haraguchi, A. Yamamoto, Hiroko Aruga Katori

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  29. Electrocatalysis on oxide surfaces: Fundamental challenges and opportunities

    Current Opinion in Electrochemistry · 2022-06-18

    Andrew R. Akbashev

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  30. Guiding epitaxial crystallization of amorphous solids at the nanoscale: Interfaces, stress, and precrystalline order

    The Journal of Chemical Physics · 2022-06-30

    Tesia D. Janicki, Zhongyi Wan, Rui Liu, Paul G. Evans, J. R. Schmidt

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  31. Antimony nitride discovered by theoretical structure prediction, rapid thermal annealing, and in situ X-ray diffraction

    Cell Reports Physical Science · 2022-08-01

    Bor‐Rong Chen, Stephan Lany, Leah L. Kelly, Elisabetta Arca, Yuki Iguchi, John D. Perkins, Hiroshi Yanagi, Michael F. Toney, Laura T. Schelhas, Andriy Zakutayev

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  32. In Situ Studies of the Formation of Tungsten and Niobium Oxide Nanoparticles: Towards Automated Analysis of Reaction Pathways from PDF Analysis using the Pearson Correlation Coefficient

    Chemistry - Methods · 2022-08-03

    Emil T. S. Kjær, Olivia Aalling‐Frederiksen, Long Yang, Nancy K. Thomas, Mikkel Juelsholt, Simon J. L. Billinge, Kirsten M. Ø. Jensen

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  33. Influence of precursor structure on the formation of tungsten oxide polymorphs

    ChemRxiv · 2023-02-10

    Mikkel Juelsholt, Olivia Aalling‐Frederiksen, Troels Lindahl Christiansen, Emil T. S. Kjær, Niels Lefeld, Andrea Kirsch, Kirsten M. Ø. Jensen

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  34. Influence of precursor structure on the formation of tungsten oxide polymorphs

    ChemRxiv · 2023-04-11

    Mikkel Juelsholt, Olivia Aalling‐Frederiksen, Troels Lindahl Christiansen, Emil T. S. Kjær, Niels Lefeld, Andrea Kirsch, Kirsten M. Ø. Jensen

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  35. How does crystalline solids form from solution? Crystallization of lanthanide(III) hydroxides

    Research Square · 2023-07-07

    Thomas Just Sørensen, Villads R. M. Nielsen, Olivia Aalling‐Frederiksen, Kirsten M. Ø. Jensen

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  36. Influence of the Precursor Structure on the Formation of Tungsten Oxide Polymorphs

    Inorganic Chemistry · 2023-09-01

    Mikkel Juelsholt, Olivia Aalling‐Frederiksen, Troels Lindahl Christiansen, Emil T. S. Kjær, Niels Lefeld, Andrea Kirsch, Kirsten M. Ø. Jensen

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  37. Mechanistic insights into solvent-guided growth and structure of MoO 2 nanoparticles in solvothermal synthesis

    Chemical Science · 2025-01-01

    Laura Glei Graversen, Mikkel Juelsholt, Olivia Aalling‐Frederiksen, Ulrik Friis-Jensen, Rebecca Katharina Pittkowski, Maria Storm Thomsen, Andrea Kirsch, Nicolas P. L. Magnard, Kirsten M. Ø. Jensen

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  38. Exploring the Crystallization of Lanthanum(III) and Neodymium(III) Hydroxides from Solution

    Inorganic Chemistry · 2025-04-07

    Villads R. M. Nielsen, Olivia Aalling‐Frederiksen, Kirsten M. Ø. Jensen, Thomas Just Sørensen

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