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RESEARCH PAPER · Chemistry of Materials · 2019

Chemical Flexibility of Mg in Pnictide Materials: Structure and Properties Diversity

Jian Wang, Justin Mark, Katherine E. Woo, Jackson Voyles, Kirill A. Kovnir

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Chemical Flexibility of Mg in Pnictide Materials: Structure and Properties DiversityOriginalFlux Growth of Phosphide and Arsenide Crystals40Hydrated MgxV5O12 Cathode with Improved Mg2+ Storage Performance58Structural diversity of the Zintl pnictides with rare-earth metals14Third time's the charm: intricate non-centrosymmetric polymorphism in Ln SiP 3 ( Ln = La and Ce) induced by distortions of phosphorus square layers26Zintl phases for thermoelectric applications25Anisotropic Structural Collapse of Mg3Sb2 and Mg3Bi2 at High Pressure28Soft anharmonic phonons and ultralow thermal conductivity in Mg 3 (Sb, Bi) 2 thermoelectrics124Synthesis, crystal and electronic structure of BaLi2Cd2Ge25From Three-Dimensional Clathrates to Two-Dimensional Zintl Phases AMSb2 (A = Rb, Cs; M = Ga, In) Composed of Pentagonal M–Sb Rings8A comprehensive review on metal chalcogenides with three-dimensional frameworks for infrared nonlinear optical applications114Thermoelectric materials13AeMg6Ga6S16 (Ae = Ca, Sr, Ba): The First Double Alkaline‐Earth Metal Chalcogenides with Excellent Performances29Single-Crystal Growth, Structure, and Transport Properties of a New Dirac Semimetal LaMg0.83Sb25Understanding the complex electronic structure of Mg 3 Sb 2 and the effect of alloying through first-principles tight-binding models12Recent progress in the design of IR nonlinear optical materials by partial chemical substitution: Structural evolution and performance optimization133Enhanced thermoelectric performance of P-type SnTe thin film through Sr doping and Post-Annealing treatment12Ga-based IR nonlinear optical materials: Synthesis, structures, and properties65Alloying induced superionic β-phase formation in Mg 3 Sb 2 based Zintl compounds6A Comprehensive Ab Initio Study of the Recently Synthesized Zintl Phase CsGaSb2 Structural, Dynamical Stability, Elastic and Thermodynamic Properties16Material Design and Discovery in Full-Heusler Compounds: A Comprehensive First-Principles Analysis of XMg2Hg, XMgHg2, and X2MgHg (X = Sc, Li)1An ab initio analysis of the electronic, optical, and thermoelectric characteristics of the Zintl phase CsGaSb 219Unraveling the Ionic Storage Mechanism of Flexible Nitrogen‐Doped MXene Films for High‐Performance Aqueous Hybrid Supercapacitors63Bonding Heterogeneity and Nanoprecipitation on Substituting the Anionic Framework in Mg3Sb2 for p‐Type Zintl Thermoelectrics5Tuning thermal expansion and phase transition temperature with Mg substitution in Zn 2 V 2 O 73A new thermoelectric compound Mg3Ag4Bi4: Preparation, crystal structure, DFT calculation and thermoelectric performance1Alloying to tune the bandgap of the AM 2 Pn 2 Zintl compounds1Beyond the bandgap bottleneck: structure–property design principles for infrared nonlinear optical phosphides0

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  1. Flux Growth of Phosphide and Arsenide Crystals

    Frontiers in Chemistry · 2020-04-02

    Jian Wang, Philip Yox, Kirill A. Kovnir

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  2. Hydrated MgxV5O12 Cathode with Improved Mg2+ Storage Performance

    Advanced Energy Materials · 2020-10-21

    Yunpei Zhu, Gang Huang, Jun Li Yin, Yongjiu Lei, Abdul-Hamid M. Emwas, Xiang Mei Yu, Omar F. Mohammed, Husam Niman Alshareef

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  3. Structural diversity of the Zintl pnictides with rare-earth metals

    Elsevier eBooks · 2021-01-01

    Sviatoslav Baranets, Alexander Ovchinnikov, Svilen Bobev

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  4. Third time's the charm: intricate non-centrosymmetric polymorphism in Ln SiP 3 ( Ln = La and Ce) induced by distortions of phosphorus square layers

    Dalton Transactions · 2021-01-01

    Georgiy Akopov, Justin Mark, Gayatri Viswanathan, Shannon Lee, Brennan C. McBride, Juyeon Won, Frédéric A. Perras, Alexander L. Paterson, Bing Yuan, Sabyasachi Sen, Adedoyin N. Adeyemi, Feng Zhang, Cai‐Zhuang Wang, Kai‐Ming Ho, Gordon J. Miller, Kirill A. Kovnir

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  5. Zintl phases for thermoelectric applications

    Elsevier eBooks · 2021-01-01

    Susan M. Kauzlarich, Kasey P. Devlin, Christopher J. Perez

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  6. Anisotropic Structural Collapse of Mg3Sb2 and Mg3Bi2 at High Pressure

    Chemistry of Materials · 2021-01-12

    M. Calderón, Wanyue Peng, Samantha M. Clarke, Jingxuan Ding, Benjamin L. Brugman, Gill Levental, Ashiwini Balodhi, Megan Rylko, Olivier A. Delaire, James P. S. Walsh, Susannah M. Dorfman, Alexandra Zevalkink

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  7. Soft anharmonic phonons and ultralow thermal conductivity in Mg 3 (Sb, Bi) 2 thermoelectrics

    Science Advances · 2021-05-21

    Jingxuan Ding, Tyson Lanigan-Atkins, M. Calderón, Arnab Banerjee, Douglas L. Abernathy, Ayman Said, Alexandra Zevalkink, Olivier A. Delaire

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  8. Synthesis, crystal and electronic structure of BaLi2Cd2Ge2

    Zeitschrift für Naturforschung B · 2021-09-17

    Sviatoslav Baranets, Alexander Ovchinnikov, Svilen Bobev

    Read original paper ↗ ·

  9. From Three-Dimensional Clathrates to Two-Dimensional Zintl Phases AMSb2 (A = Rb, Cs; M = Ga, In) Composed of Pentagonal M–Sb Rings

    Inorganic Chemistry · 2021-12-14

    Jian Wang, Bryan Owens‐Baird, Kirill A. Kovnir

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  10. A comprehensive review on metal chalcogenides with three-dimensional frameworks for infrared nonlinear optical applications

    Coordination Chemistry Reviews · 2022-07-19

    Hong Chen, Mao‐Yin Ran, Wenbo Wei, Xintao Wu, Hua Lin, Qi‐Long Zhu

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  11. Thermoelectric materials

    Elsevier eBooks · 2022-10-26

    Philip Yox, Gayatri Viswanathan, Arka Sarkar, Jian Wang, Kirill A. Kovnir

    Read original paper ↗ ·

  12. AeMg6Ga6S16 (Ae = Ca, Sr, Ba): The First Double Alkaline‐Earth Metal Chalcogenides with Excellent Performances

    Advanced Optical Materials · 2022-11-24

    Jiale Chen, Yu-Jie Zhang, Hongping Wu, Zhanggui Hu, Jiyang Wang, Yicheng Wu, Hongwei Yu

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  13. Single-Crystal Growth, Structure, and Transport Properties of a New Dirac Semimetal LaMg0.83Sb2

    Chemistry of Materials · 2022-12-26

    Tianran Yang, Kaili Mei, Xincan Wang, Liyu Zhang, Yuanying Xia, Xueliang Wu, Mingquan He, Yisheng Chai, Xiaoyuan Zhou, Zhengyang Zhou, Huixia Fu, Pengfei Jiang, Aifeng Wang

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  14. Understanding the complex electronic structure of Mg 3 Sb 2 and the effect of alloying through first-principles tight-binding models

    Journal of Materials Chemistry A · 2023-01-01

    Wenhao Zhang, Jean‐François Halet, Takao Mori

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  15. Recent progress in the design of IR nonlinear optical materials by partial chemical substitution: Structural evolution and performance optimization

    Coordination Chemistry Reviews · 2023-02-08

    Mao‐Yin Ran, A-Yang Wang, Wenbo Wei, Xintao Wu, Hua Lin, Qi‐Long Zhu

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  16. Enhanced thermoelectric performance of P-type SnTe thin film through Sr doping and Post-Annealing treatment

    Inorganic Chemistry Communications · 2023-05-02

    Arslan Ashfaq, Elsammani Ali Shokralla, Adnan Ali, Michael M. Sabugaa, Mohamed Abdelsabour Fahmy, Shaimaa A. M. Abdelmohsen, M. Yasir Ali, Adnan Baig, Obaidallah A. Algethami, Mohamed Abboud

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  17. Ga-based IR nonlinear optical materials: Synthesis, structures, and properties

    Coordination Chemistry Reviews · 2023-12-21

    Jiaxiang Zhang, Ping Feng, Mao‐Yin Ran, Xintao Wu, Hua Lin, Qi‐Long Zhu

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  18. Alloying induced superionic β-phase formation in Mg 3 Sb 2 based Zintl compounds

    Journal of Materials Chemistry A · 2024-01-01

    Nagendra S. Chauhan, Takao Mori

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  19. A Comprehensive Ab Initio Study of the Recently Synthesized Zintl Phase CsGaSb2 Structural, Dynamical Stability, Elastic and Thermodynamic Properties

    Journal of Inorganic and Organometallic Polymers and Materials · 2024-04-22

    Sumayah Al-Essa, Saber Sâad Essaoud, Abdelmadjid Bouhemadou, Mohammed Elamin Ketfi, Saad Bin-Omran, Abdullah Chik, Missoum Radjai, Djamel Allali, R. Khenata, Yarub Al-Douri

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  20. Material Design and Discovery in Full-Heusler Compounds: A Comprehensive First-Principles Analysis of XMg2Hg, XMgHg2, and X2MgHg (X = Sc, Li)

    Materials Today Electronics · 2024-08-11

    Salman Alsaedi, Zahra Nourbakhsh, Aminollah Vaez, Daryoosh Vashaee

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  21. An ab initio analysis of the electronic, optical, and thermoelectric characteristics of the Zintl phase CsGaSb 2

    Physica Scripta · 2024-08-14

    Sumayah Al-Essa, Saber Sâad Essaoud, Abdelmadjid Bouhemadou, Mohammed Elamin Ketfi, Said Maabed, Fatima Zahraa Djilani, Saad Bin-Omran, Missoum Radjai, Djamel Allali, R. Khenata, Yarub Al-Douri

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  22. Unraveling the Ionic Storage Mechanism of Flexible Nitrogen‐Doped MXene Films for High‐Performance Aqueous Hybrid Supercapacitors

    Small · 2024-10-08

    Yangyang Xie, Guanglei Chen, Yi Tang, Zhenyu Wang, Jianghong Zhou, Zhao Bi, Xiaodie Xuan, Junhui Zou, Aibo Zhang, Chenhui Yang

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  23. Bonding Heterogeneity and Nanoprecipitation on Substituting the Anionic Framework in Mg3Sb2 for p‐Type Zintl Thermoelectrics

    Small Structures · 2025-03-05

    Nagendra S. Chauhan, Takao Mori

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  24. Tuning thermal expansion and phase transition temperature with Mg substitution in Zn 2 V 2 O 7

    Journal of Solid State Chemistry · 2025-03-10

    Garrett Mahler, Charles Iyare, Carolina Avalos, Seongyoung Kong, Kirill A. Kovnir, Joya A. Cooley

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  25. A new thermoelectric compound Mg3Ag4Bi4: Preparation, crystal structure, DFT calculation and thermoelectric performance

    Journal of Alloys and Compounds · 2025-08-01

    Jiandi Liu, Jianhua Ji, Tonghan Yang, Guangfeng Zhang, Shuohai Fang, Hui Luo, Tianhua Ju, Cuiyun He, Changzhong Liao

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  26. Alloying to tune the bandgap of the AM 2 Pn 2 Zintl compounds

    Journal of Physics Energy · 2026-01-26

    Andrew Pike, Zhenkun Yuan, Muhammad Rubaiat Hasan, Smitakshi Goswami, Krishanu Samanta, Miguel González, Jifeng Liu, Kirill A. Kovnir, Geoffroy Hautier

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  27. Beyond the bandgap bottleneck: structure–property design principles for infrared nonlinear optical phosphides

    Coordination Chemistry Reviews · 2026-09-22

    Zichang Wang, Dajiang Mei, Ximeng Lv, Shuchang Wu, Yang Liu, Jingdong Yan, Xiangran Kong, Hongwei Leng, Zuotao Lei, Chunhui Yang

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