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RESEARCH PAPER · Journal of the American Chemical Society · 2021

Mixed-Valence CsCu4Se3: Large Phonon Anharmonicity Driven by the Hierarchy of the Rigid [(Cu+)4(Se2–)2](Se–) Double Anti-CaF2 Layer and the Soft Cs+ Sublattice

Ni Ma, Fan Li, Jiangao Li, Xin Liu, Dong‐Bo Zhang, Yanyan Li, Ling Chen, Li‐Ming Wu

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Mixed-Valence CsCu4Se3: Large Phonon Anharmonicity Driven by the Hierarchy of the Rigid [(Cu+)4(Se2–)2](Se–) Double Anti-CaF2 Layer and the Soft Cs+ SublatticeOriginalLanthanide thioborates, an emerging class of nonlinear optical materials, efficiently synthesized using the boron–chalcogen mixture method23Structure and thermoelectric performance of AgyIn3.33–y/3Se5 compounds1Second-Harmonic Generation-Positive Na 2 Ga 2 SiS 6 with a Broad Band Gap and a High Laser Damage Threshold14Phonon Symphony of Stacked Multilayers and Weak Bonds Lowers Lattice Thermal Conductivity17Thermoelectric Zintl Compound In1−xGaxTe: Pure Acoustic Phonon Scattering and Dopant‐Induced Deformation Potential Reduction and Lattice Shrink33Thermoelectric Zintl Compound In1−xGaxTe: Pure Acoustic Phonon Scattering and Dopant‐Induced Deformation Potential Reduction and Lattice Shrink11Transuranium Sulfide via the Boron Chalcogen Mixture Method and Reversible Water Uptake in the NaCuTS3 Family21Enhanced average thermoelectric properties of n‑type Mg3Sb2 based materials by mixed-valence Ni doping22Exploitation of mixed-valency chemistry for designing a monolayer with double ferroelectricity and triferroic couplings5Strong Antibonding I (p)–Cu (d) States Lead to Intrinsically Low Thermal Conductivity in CuBiI 4123Synthesis of uranium mixed anion compounds synthesized using the Boron-Chalcogen Mixture method: Ba6Co6U0·91S13·5O0.5 and Ba5·47K0·53Zn6US13·5O0.55Overdamped Phonon Diffusion and Nontrivial Electronic Structure Leading to a High Thermoelectric Figure of Merit in KCu 5 Se 355Heat diffusion optimization in high performance perovskite solar cells integrated with zeolite14Three-in-One Tetrahedral Functional Units Constructing Diamondlike Ag2In2SiS3.06Se2.94 with High-Performance Nonlinear-Optical Activity4Electron deficiency in 2D chalcogenide NaCu4S3 with metallic properties2Multiple approaches of band engineering and mass fluctuation of solution-processed n-type Re-doped MoS2 nanosheets for enhanced thermoelectric power factor33Functional Alkali Metal-Based Ternary Chalcogenides: Design, Properties, and Opportunities50Cu3BiS3: Two‐Dimensional Coordination Induces Out‐of‐Plane Phonon Scattering Enabling Ultralow Thermal Conductivity6Cu3BiS3: Two‐Dimensional Coordination Induces Out‐of‐Plane Phonon Scattering Enabling Ultralow Thermal Conductivity21Rare three-valence-band convergence leading to ultrahigh thermoelectric performance in all-scale hierarchical cubic SnTe87“Three‐in‐One”: A New Hg‐Based Selenide Hg 7 P 2 Se 12 Exhibiting Wide Infrared Transparency Range and Strong Nonlinear Optical Effect80Sb4O5I2: Enhancing Birefringence through Optimization of Sb/I Ratio for Alignment of Stereochemically Active Lone Pairs18Multilayer Approach for Ultralow Lattice Thermal Conductivity in Low-Dimensional Solids14Ultralow Thermal Conductivity of a Chalcogenide System Pt3Bi4Q9 (Q = S, Se) Driven by the Hierarchy of Rigid [Pt6Q12]12– Clusters Embedded in Soft Bi-Q Sublattice11Ultralow lattice thermal conductivity in complex structure Cu26V2Sn6Se32 due to interaction of low-frequency acoustic-optical phonons29Cations and Anions Affect the Speed of Sound in Water Oppositely8High-Entropy Strategy to Achieve Electronic Band Convergence for High-Performance Thermoelectrics72Surface evolution of thermoelectric material KCu4Se3 explored by scanning tunneling microscopy0Strong low-energy rattling modes enabled liquid-like ultralow thermal conductivity in a well-ordered solid42Anharmonic phonon self-energy and anomalous thermal transport in the quaternary compound BaA g 2 SnS e 419LiLnGeS 4 (Ln=La−Nd): Designing High Performance Infrared Nonlinear Optical Sulfides through “Band Reformation of AGS”36LiLnGeS 4 (Ln=La−Nd): Designing High Performance Infrared Nonlinear Optical Sulfides through “Band Reformation of AGS”5Extremely low lattice thermal conductivity in light-element solid materials4Thermal insulation enhanced by the dopant-induced phonon softening discovered in thermoelectric Heusler compounds11New layered organic-inorganic superlattice with bilayer linear molecules for superhigh heat insulation3Long‐Range Anion Correlations Mediating Dynamic Anharmonicity and Contributing to Glassy Thermal Conductivity in Well‐Ordered K2Ag4Se312Exploring new horizons in mid-to-far infrared nonlinear optical crystals: the significant potential of trigonal pyramidal [TeS 3 ] 2− functional units18Structural evolution and bonding features of electron deficient copper chalcogenides3Interlayer thermal transport and glasslike behavior in crystalline CsCu 4 Se 317Pauling’s Third Rule as a Guide for Designing Low Thermal Conducting Chalcogenides8Diffuson‐Dominated Thermal Transport Crossover From Ordered to Liquid‐Like Cu 3 BiS 3 : The Negligible Role of Ion Hopping10KCu 3 S 2 : A Layered Inorganic Chalcogenide Semiconductor as a Promising Light Absorber2Layered Alkali-Copper Selenides: Deciphering Thermoelectric Properties and Reaction Pathways for Nanostructuring β-CsCu 5 Se 31

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  1. Lanthanide thioborates, an emerging class of nonlinear optical materials, efficiently synthesized using the boron–chalcogen mixture method

    Chemical Communications · 2022-01-01

    Logan S. Breton, Gregory W. Morrison, Matthew R. Lacroix, P. Shiv Halasyamani, Hans‐Conrad zur Loye

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  2. Structure and thermoelectric performance of AgyIn3.33–y/3Se5 compounds

    Acta Physica Sinica · 2022-01-01

    Peng Zi, Hui Bai, Cong Wang, Yu-Tian Wu, Pei-An Ren, Qirui Tao, Jinsong Wu, Xianli Su, Xinfeng Tang

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  3. Second-Harmonic Generation-Positive Na 2 Ga 2 SiS 6 with a Broad Band Gap and a High Laser Damage Threshold

    Inorganic Chemistry · 2022-05-05

    Wenlong Xie, Yihan Yun, Lihan Deng, Guangmao Li, Shilie Pan

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  4. Phonon Symphony of Stacked Multilayers and Weak Bonds Lowers Lattice Thermal Conductivity

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    Ni Ma, Zhou Zhang, Pengfei Nan, Wei Yang Bai, Kai Li, Jiyin Zhao, Shiming Zhou, Binghui Ge, Jiong Yang, Chong Xiao, Yi Bing Xie

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  5. Thermoelectric Zintl Compound In1−xGaxTe: Pure Acoustic Phonon Scattering and Dopant‐Induced Deformation Potential Reduction and Lattice Shrink

    Angewandte Chemie International Edition · 2022-07-12

    Fan Li, Xin Liu, Ni Ma, Ling Chen, Li‐Ming Wu

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  6. Thermoelectric Zintl Compound In1−xGaxTe: Pure Acoustic Phonon Scattering and Dopant‐Induced Deformation Potential Reduction and Lattice Shrink

    Angewandte Chemie · 2022-07-12

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  7. Transuranium Sulfide via the Boron Chalcogen Mixture Method and Reversible Water Uptake in the NaCuTS3 Family

    Journal of the American Chemical Society · 2022-07-21

    Anna A. Berseneva, Vladislav V. Klepov, Koushik Pal, Kelly Seeley, Daniel Koury, Joseph C. Schaeperkoetter, Joshua Wright, Scott T. Misture, Mercouri G. Kanatzidis, Chris M. Wolverton, Artem V. Gelis, Hans‐Conrad zur Loye

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  8. Enhanced average thermoelectric properties of n‑type Mg3Sb2 based materials by mixed-valence Ni doping

    Journal of Alloys and Compounds · 2022-08-01

    Wenyan Zhu, Pingping Zheng, Yaoming Shao, Wenqiang Fang, Haifei Wu, Jianxiao Si

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  9. Exploitation of mixed-valency chemistry for designing a monolayer with double ferroelectricity and triferroic couplings

    Nanoscale · 2023-01-01

    Yaxin Gao, Sha Li, Xiao Cheng Zeng, Menghao Wu

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  10. Strong Antibonding I (p)–Cu (d) States Lead to Intrinsically Low Thermal Conductivity in CuBiI 4

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    Anustoop Das, Koushik Pal, Paribesh Acharyya, Subarna Das, Krishnendu Maji, Kanishka Biswas

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  11. Synthesis of uranium mixed anion compounds synthesized using the Boron-Chalcogen Mixture method: Ba6Co6U0·91S13·5O0.5 and Ba5·47K0·53Zn6US13·5O0.5

    Solid State Sciences · 2023-05-06

    Logan S. Breton, Mark D. Smith, Hans‐Conrad zur Loye

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  12. Overdamped Phonon Diffusion and Nontrivial Electronic Structure Leading to a High Thermoelectric Figure of Merit in KCu 5 Se 3

    Journal of the American Chemical Society · 2023-06-29

    Fan Li, Xin Liu, Ni Ma, Yi‐Chang Yang, Jianping Yin, Ling Chen, Li‐Ming Wu

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  13. Heat diffusion optimization in high performance perovskite solar cells integrated with zeolite

    Journal of Energy Chemistry · 2023-07-10

    Wei Wang, Jian Zhang, Kaifeng Lin, Jiaqi Wang, Boyuan Hu, Yayu Dong, Debin Xia, Yulin Yang

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  14. Three-in-One Tetrahedral Functional Units Constructing Diamondlike Ag2In2SiS3.06Se2.94 with High-Performance Nonlinear-Optical Activity

    Inorganic Chemistry · 2023-08-10

    Jun Li, Wenfeng Zhou, Wen‐Dong Yao, Wenlong Liu, Sheng‐Ping Guo

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  15. Electron deficiency in 2D chalcogenide NaCu4S3 with metallic properties

    Crystal Growth & Design · 2023-08-25

    Sergei A. Novikov, James Casey, Hope A. Long, Joshua Bledsoe, Jason Locklin, Vladislav V. Klepov

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  16. Multiple approaches of band engineering and mass fluctuation of solution-processed n-type Re-doped MoS2 nanosheets for enhanced thermoelectric power factor

    Journal of Colloid and Interface Science · 2023-09-03

    M. Arockia Jenisha, S. Kavirajan, S. Harish, Shanmugasundaram Kamalakannan, J. Archana, E. Senthil Kumar, Naoki Wakiya, Mani NAVANEETHAN

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  17. Functional Alkali Metal-Based Ternary Chalcogenides: Design, Properties, and Opportunities

    Chemistry of Materials · 2023-09-22

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  18. Cu3BiS3: Two‐Dimensional Coordination Induces Out‐of‐Plane Phonon Scattering Enabling Ultralow Thermal Conductivity

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    Fei Jia, Shuang Zhao, Jing Wu, Ling Chen, Te‐Huan Liu, Li‐Ming Wu

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  19. Cu3BiS3: Two‐Dimensional Coordination Induces Out‐of‐Plane Phonon Scattering Enabling Ultralow Thermal Conductivity

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  20. Rare three-valence-band convergence leading to ultrahigh thermoelectric performance in all-scale hierarchical cubic SnTe

    Energy & Environmental Science · 2023-11-09

    Fan Li, Xin Liu, Shurong Li, Xiaofan Zhang, Ni Ma, Xin-Jing Li, Xin-Yun Lin, Ling Chen, Haijun Wu, Li‐Ming Wu

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  21. “Three‐in‐One”: A New Hg‐Based Selenide Hg 7 P 2 Se 12 Exhibiting Wide Infrared Transparency Range and Strong Nonlinear Optical Effect

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  22. Sb4O5I2: Enhancing Birefringence through Optimization of Sb/I Ratio for Alignment of Stereochemically Active Lone Pairs

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  23. Multilayer Approach for Ultralow Lattice Thermal Conductivity in Low-Dimensional Solids

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  24. Ultralow Thermal Conductivity of a Chalcogenide System Pt3Bi4Q9 (Q = S, Se) Driven by the Hierarchy of Rigid [Pt6Q12]12– Clusters Embedded in Soft Bi-Q Sublattice

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  25. Ultralow lattice thermal conductivity in complex structure Cu26V2Sn6Se32 due to interaction of low-frequency acoustic-optical phonons

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  27. High-Entropy Strategy to Achieve Electronic Band Convergence for High-Performance Thermoelectrics

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  28. Surface evolution of thermoelectric material KCu4Se3 explored by scanning tunneling microscopy

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  29. Strong low-energy rattling modes enabled liquid-like ultralow thermal conductivity in a well-ordered solid

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  30. Anharmonic phonon self-energy and anomalous thermal transport in the quaternary compound BaA g 2 SnS e 4

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