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RESEARCH PAPER · Inorganic Chemistry · 2019

Predicting the Structure Stability of Layered Heteroanionic Materials Exhibiting Anion Order

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

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Predicting the Structure Stability of Layered Heteroanionic Materials Exhibiting Anion OrderOriginalFirst-Principles Hydrothermal Synthesis Design to Optimize Conditions and Increase the Yield of Quaternary Heteroanionic Oxychalcogenides28Layered Double Perovskites75Structure, Magnetism, and Thermal Stability of La2NiO2.5F3: A Ruddlesden–Popper Oxyfluoride Crystallizing in Space Group P42/nnm24Symmetry and the Role of the Anion Sublattice in Aurivillius Oxyfluoride Bi2TiO4F218Perovskite-like K3TiOF5 Exhibits (3 + 1)-Dimensional Commensurate Structure Induced by Octahedrally Coordinated Potassium Ions10Designing new polar materials1Heteroanionic LaBrVIO4 (VI = Mo, W): Excellence in Both Nonlinear Optical Properties and Photoluminescent Properties11Testing the limits of the global instability index18Chemical perspectives on heteroanionic compounds: a potential playground for multiferroics7Navigation through high-dimensional chemical space: discovery of Ba 5 Y 13 [SiO 4 ] 8 O 8.5 and Ba 3 Y 2 [Si 2 O 7 ] 22Heteroanionic stabilization of Ni1+ with nonplanar coordination in layered nickelates2Data-driven physics-informed descriptors of cation ordering in multicomponent perovskite oxides17Ae3[TO3][SnOQ3] (Ae = Sr, Ba; T = Si, Ge; Q = S, Se) and Ba3[CO3][MQ4] (M = Ge, Sn; Q = S, Se): Design and Syntheses of a Series of Heteroanionic Antiperovskite-Type Oxychalcogenides29Enhanced two-photon absorption in hydrothermally synthesized La 2 O 6 Te nanorods for visible light photodetection18Dimensional Evolution Guides Property Control in the A n Cu 4– n TiS 4 Semiconductor Series6Dimensional Reduction Guides Electronic Structure Evolution in the A n Cu 4– n SnS 4 Semiconductor Series8

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  1. First-Principles Hydrothermal Synthesis Design to Optimize Conditions and Increase the Yield of Quaternary Heteroanionic Oxychalcogenides

    Chemistry of Materials · 2021-04-05

    Lauren N. Walters, Chi Zhang, Vinayak P. Dravid, Kenneth Reinhard Poeppelmeier, James M. Rondinelli

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  2. Layered Double Perovskites

    Annual Review of Materials Research · 2021-05-05

    Hayden A. Evans, Lingling Mao, Ram Seshadri, Anthony Kevin Cheetham

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  3. Structure, Magnetism, and Thermal Stability of La2NiO2.5F3: A Ruddlesden–Popper Oxyfluoride Crystallizing in Space Group P42/nnm

    Inorganic Chemistry · 2021-08-17

    Jonas Jacobs, Miguel A. L. Marques, Hai‐Chen Wang, Emil Dieterich, Stefan G. Ebbinghaus

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  4. Symmetry and the Role of the Anion Sublattice in Aurivillius Oxyfluoride Bi2TiO4F2

    Inorganic Chemistry · 2021-09-01

    A. T. Giddings, Euan A. S. Scott, Martin Christopher. Stennett, David C. Apperley, Colin Greaves, Neil Christian Hyatt, Emma E. McCabe

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  5. Perovskite-like K3TiOF5 Exhibits (3 + 1)-Dimensional Commensurate Structure Induced by Octahedrally Coordinated Potassium Ions

    Journal of the American Chemical Society · 2021-11-03

    Fenghua Ding, Nenian Charles, Jaye K. Harada, Christos D. Malliakas, Chi Zhang, Roberto dos Reis, Kent J. Griffith, Matthew Lander Nisbet, Weiguo Zhang, P. Shiv Halasyamani, Vinayak P. Dravid, James M. Rondinelli, Kenneth Reinhard Poeppelmeier

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  6. Designing new polar materials

    Elsevier eBooks · 2022-01-28

    Emma E. McCabe

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  7. Heteroanionic LaBrVIO4 (VI = Mo, W): Excellence in Both Nonlinear Optical Properties and Photoluminescent Properties

    Chemistry of Materials · 2023-08-14

    Zixian Jiao, Osvaldo Medina Mireles, Kevin Ensz, Fei Wang, Mingli Liang, P. Shiv Halasyamani, Bingbing Zhang, D. Paul Rillema, Jian Wang

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  8. Testing the limits of the global instability index

    APL Materials · 2023-10-01

    Kyle D. Miller, James M. Rondinelli

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  9. Chemical perspectives on heteroanionic compounds: a potential playground for multiferroics

    Materials Chemistry Frontiers · 2024-01-01

    Karishma Prasad, Vivian Nguyen, Bingheng Ji, Jasmine Quah, Danielle Goodwin, Jian Wang

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  10. Navigation through high-dimensional chemical space: discovery of Ba 5 Y 13 [SiO 4 ] 8 O 8.5 and Ba 3 Y 2 [Si 2 O 7 ] 2

    Chemical Science · 2024-01-01

    Nataliya L. Gulay, Marco Zanella, Craig M. Robertson, Daniel Ritchie, Manel Sonni, Matthew A. Wright, Jon A. Newnham, Cara J. Hawkins, Jayne Whitworth, Bhupendra P. Mali, Hongjun Niu, Matthew Stephen Dyer, Christopher M. Collins, Luke M. Daniels, John B. Claridge, Matthew J. Rosseinsky

    Read original paper ↗ ·

  11. Heteroanionic stabilization of Ni1+ with nonplanar coordination in layered nickelates

    Physical Review Materials · 2024-02-22

    Jaye K. Harada, Nenian Charles, Nathan Z. Koocher, Yiran Wang, Kendall R. Kamp, Makayla R. Baxter, Kenneth Reinhard Poeppelmeier, Danilo Puggioni, James M. Rondinelli

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  12. Data-driven physics-informed descriptors of cation ordering in multicomponent perovskite oxides

    Cell Reports Physical Science · 2024-04-30

    Jiayu Peng, James R. Jr. Damewood, Rafael Gómez‐Bombarelli

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  13. Ae3[TO3][SnOQ3] (Ae = Sr, Ba; T = Si, Ge; Q = S, Se) and Ba3[CO3][MQ4] (M = Ge, Sn; Q = S, Se): Design and Syntheses of a Series of Heteroanionic Antiperovskite-Type Oxychalcogenides

    Journal of the American Chemical Society · 2024-09-16

    Yuanding Yu, Shiyi Zhang, Hongping Wu, Zhanggui Hu, Jiyang Wang, Yicheng Wu, Hongwei Yu

    Read original paper ↗ ·

  14. Enhanced two-photon absorption in hydrothermally synthesized La 2 O 6 Te nanorods for visible light photodetection

    Nanoscale · 2024-12-09

    Prabhukrupa Chinmay Kumar, Swikruti Supriya, Ashutosh Mohapatra, Chinnaiyah Sripan, Ramakanta Naik

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  15. Dimensional Evolution Guides Property Control in the A n Cu 4– n TiS 4 Semiconductor Series

    Journal of the American Chemical Society · 2025-06-13

    Michael A. Viti, Zhi Li, Zhifu Liu, Chris M. Wolverton, Mercouri G. Kanatzidis

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  16. Dimensional Reduction Guides Electronic Structure Evolution in the A n Cu 4– n SnS 4 Semiconductor Series

    Journal of the American Chemical Society · 2025-08-07

    Michael A. Viti, Zhi Li, Chris M. Wolverton, Mercouri G. Kanatzidis

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