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RESEARCH PAPER · Interdisciplinary materials · 2024

Lattice dynamics and thermoelectric properties of diamondoid materials

Hongyao Xie, Li‐Dong Zhao, Mercouri G. Kanatzidis

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Lattice dynamics and thermoelectric properties of diamondoid materialsOriginalMultiple conduction bands with strong valley anisotropy yielding ultrahigh thermoelectric power factors in n-type elemental Ge8Rational design and synthesis of Cr1–x Te/Ag2Te composites for solid-state thermoelectromagnetic cooling near room temperature3Lattice Plainification Leads to High Thermoelectric Performance of P‐Type PbSe Crystals75Ultrafast Combustion Synthesis and High Thermoelectric Performance of Mg 3 Sb 2- x Bi x -Based Compounds13Deformation and Failure Mechanisms of Element-Substituted Thermoelectric Type-I and Type-VIII Clathrates3Realizing high-efficiency thermoelectric module by suppressing donor-like effect and improving preferred orientation in n-type Bi2(Te, Se)391Modifying Roles of CuSbSe2 in Realizing High Thermoelectric Performance of GeTe44Deformation Mechanisms of Clathrate tI-Na2ZnSn51Manipulation of metavalent bonding to stabilize metastable phase: A strategy for enhancing zT in GeSe43Implications and Optimization of Domain Structures in IV–VI High-Entropy Thermoelectric Materials20Realizing thermoelectric cooling and power generation in N-type PbS0.6Se0.4 via lattice plainification and interstitial doping105Orbit-lattice coupling leads to the intrinsic low thermal conductivity in M Te ( M = Ge , Sn , Pb ) thermoelectric materials11Atomic-Resolution Interfacial Reaction Mechanism between Bi 2 Te 3 -Based Alloys and Ni Electrodes14Fine tuning of Mn/Co vacancies for optimized magnetocaloric performance in MnCoGe alloys11Valence Bands Convergence in p-Type CoSb3 through Electronegative Fluorine Filling4Effect of HPHT technology and Se doping on thermoelectric properties of In filled Fe doped CoSb3 materials6Identification of New Higher Diamondoids in Condensate, Their Elution Patterns, and Mechanisms: A Case Study from Well ZS1C, Tarim Basin4Rational Design of Cu Vacancies and Antisite Defects for Boosting the Thermoelectric Properties of CuGaTe2-Based Compounds6Regulation of dynamic recrystallization in p-type Bi2Te3-based compounds leads to high thermoelectric performance and robust mechanical properties22Multi-Doping Exploration of (Sb, Bi and Ba) by First Principles on Ordered Zn–Si–P Compounds as High-Performance Anodes for Next-Generation Li-Ion Batteries6Electric wind induced texturing for enhanced thermoelectric performance of p-type Mg3Sb2-based materials3Advanced GeSe-based thermoelectric materials: Progress and future challenge29Robustly Boosting Thermoelectric Performance of N‐Type PbSe via Lattice Plainification and Dynamic Doping36The development and impact of tin selenide on thermoelectrics176Rational design of MnCoGe alloys for enhanced magnetocaloric performance and reduced thermal hysteresis7Stepwise Optimization of Thermoelectric Performance in n‐Type SnS35PbSe Thermoelectrics: Efficient Candidates for Power Generation and Cooling28Enhancing magnetic and thermoelectric properties of CuFeS2 crystal via Mn doping1Homogeneity of Zone-melted n-type Bi 1.96 Sb 0.04 Te 2.70 Se 0.30 Thermoelectric Material0Preparation of vertical corner extrusion and thermoelectric properties of p-type Bi2Te3 based materials0Spin-Orbit Coupling Driven Topological Transition in P-Type Thermoelectric Kmg4sb3-Xbix: A Dft Study0Improving the thermoelectric properties of septuple atomic-layer SnBi2Se4 by regulating the carrier concentration through Nb doping9Zinc Stabilized Cation Ordered Chalcopyrite Thin Film for Enhanced Thermoelectric Power Generation Near Room Temperature2Tailoring Interlayer Interaction for Enhancing Thermoelectric Properties of Two-Dimensional 2H–Mo1–xNbxS2 Compounds5Pavonite Homologous CdAg2.5Sb6.5Se12 as a Promising Thermoelectric Compound2Strategies and Prospects for High-Performance Te-Free Thermoelectric Materials99Off-centering effect and crystal symmetry modification lead to high thermoelectric performance in diamondoid Cu2SnSe317Lattice Plainification Leads to High Thermoelectric Cooling Performance in Physically Vapor‐Deposited N‐Type PbSe Crystal29Weak Chemical Bonds and High Electrical Conductivities Lead to High Thermoelectric Performance in Zintl Compounds Sr 2 CdX 2 (X = As, Sb, and Bi)7Intrinsic Off-Centering and Light Conduction Band Structure Lead to High Thermoelectric Performance in N-Type Diamondoid AgInSe 221Low-dimensional structure and strong anharmonicity render Sn2S3 low thermal conductivity in the Sn-S system3Magnetics for Thermoelectric Enhancement39Enhancing Thermoelectric Efficiency in GeTe via Tailored Alloying and Band Engineering15Machine learning for predictive design and optimization of high-performance thermoelectric materials: a review13Formation of Dual Vacancies Leads to a High Thermoelectric Performance in Cu2GeSe3+x2Constructing high-valence cation Ge vacancy to achieve high thermoelectric power factor in p-type Cu2GeSe32Regulating the Local Order of Cations Significantly Enhances the Thermoelectric Performance of Pb-Doped AgSbSe24Intrinsically Ultra-low Lattice Thermal Conductivity and Excellent Thermoelectric Performance in Complex Layered Pb4In2.8Bi3.2Se13 Compound1Revealing novel SrO monolayer: A high-performance thermoelectric and optoelectronic material for sustainable energy conversion5Promoting p‐Type PbS as Efficient Candidates for Thermoelectric Cooling and Power Generation14Chemical Bond Engineering in Charge-Balanced Layered TiSe2 Derivatives: 3D Charge Transport and Lattice Anharmonicity for Exceptional Thermoelectric Performance18High-mobility PbSe crystals with trace Sb doping for wide-temperature thermoelectric applications5Screw symmetry induced low-frequency optical phonons in heat-insulating CsCu2I33Carrier–phonon decoupling via annealing enhances thermoelectric performance of Bi2(Te,Se)30Boundary Engineering‐Induced Strong Yet Ductile Bi 2 Te 3 Thin Film with High Thermoelectric Performance4Dynamic-recrystallization-mediated suppression of donor-like effects in n-type Bi2(Te,Se)3 thermoelectrics via extreme hot extrusion0Crystalline Order Yet Glass-Like Heat Transport Driven by Hidden Local Distortions as the Structural Origin of Ultralow Thermal Conductivity in AgErTe 23PbS quantum dots-derived gradient interfaces unify doping and strain for enhanced Bi0.5Sb1.5Te3 thermoelectrics0Realization of defects evolution for boosting thermoelectric properties in Sb doped PbSe2Resolving the thermoelectric‐mechanical performance trade‐off in n ‐type Bi 2 Te 3 ‐based compounds via a novel melt‐spinning and hot‐extrusion route2Structural Heterogeneity in Medium-Entropy AgMnSbPbTe 4 for Glassy Thermal Transport and High Thermoelectric Performance5Metallic Transport in Pseudocubic Quaternary Diamondoid Thermoelectric Semiconductor1Lead-doped BiSbTe thermoelectrics with lattice plainification and bipolar suppression for flexible energy applications1Design Charged Edge Dislocations Toward High Performance Thermoelectrics3Solidification Engineering for Thermoelectrics: Figure of Merit and Plasticity1Thermoelectric properties of the copper-based chalcopyrite semiconductors Cu M X 2 ( M = Al, Ga, and In; X = S, Se, and Te) from first-principles calculations6Phonon Scattering by Local Off‐Centering in Diamond‐Like Cu 2−X Ag x In 2 Se 4 Chalcopyrites: High Carrier Mobility and Ultralow Thermal Conductivity2Exceptional Thermoelectric Performance of Naturally High‐Entropy Pavonite Ag 3 Pb 4 Bi 11 Se 22 with Unique Quasi‐Superlattice Structure and Sextuple Conduction Valleys5Interface‐Engineered High‐Performance Flexible Thermoelectric Films for Self‐Powered Health Monitoring8Chemical Bond Covalency‐Driven Cubic Phase Stabilization Boosts Thermoelectric Efficiency in Cu 2 GeSe 33High-performance perovskite thermoelectrics in BaZrS3 via decoupling of charge and heat transport0Entropy-Stabilized Diamondoid AgCdInSe 3 with Ultralow Thermal Conductivity and High Carrier Mobility for Thermoelectrics1Cu-based thermoelectrics: Frontiers, challenges, and prospects11Recent Advances in Thermoelectric Research of TiSe 2 : Structure, Modulation Strategies, and Performance Optimization0Resonant energy level and ferromagnetic ordering lead to high average ZT in N-type PbSe thermoelectrics0Seeing the Invisible-Understanding Thermoelectric Materials through Scanning Transmission Electron Microscopy0Strong Intra‐ and Interchain Orbital Coupling Leads To Multiband and High Thermoelectric Performance In Na 2 Au X ( X = P, As, Sb, and Bi)1Atomic Structure and Symmetry-Dependent Band Structure of the Novel Spinel Phase AgIn 2 Se 40Rational Design of Multi-Polyhedral Units-Induced Hybrid Bonding and Quadruple-Valley Band Structure in Ag 0.5 CdBi 4.5 Se 8 for Enhanced Thermoelectric Performance4Boosting Thermoelectric Performance of Cu 3 SbSe 4 ‐Based Diamond‐Like Compounds via Multi‐Scale Microstructure Engineering0Magnet-immune Bi2Te3 thermoelectrics for pre-cryogenics0Ultralow lattice thermal conductivity and enhanced thermoelectric performance enabled by CuInSe2 alloying in AgSbTe22Ag-Doping-Mediated Interlayer Coordination Engineering: Enabling Thermoelectric ZT = 1 in TMDs-Derived Narrow-Gap Semiconductor CuCrTi 2 Se 61Modulating Interlayer Chemical Bonding Heterogeneity for Electron‐Phonon Decoupling: Unlocking High Thermoelectric Performance in Layered CuCrTi 2 Se 60SnSe Alloying Enables High Thermoelectric Efficiency in Out-of-Plane PbSnS 2 Crystals0The Water Behavior Chain: A Unified Framework for Solar Interfacial Evaporation2Non‐Bonding Element Doping Enables Weakened Electron‐Phonon Interaction and Superior Thermoelectric Performance in CuGaTe 20Advances in Thermoelectric Cu 2 ZnSnS 4 : From Structure, Synthesis to Performance0Decoupling Electrothermal Transport in the YbAl3 Kondo Lattice via Itinerant-Electron Magnetic Fluctuations0Synergizing Hierarchical Pores and Three‐Dimensional Geometry in Diatomite Ceramics for Efficient Solar Evaporation0Rapid thermal explosion synthesis of high-performance Sb2Te3 thermoelectrics enabled by In/Se co-doping0Defect‐Induced Local Symmetry Breaking Triggers Lattice Softening for High Thermoelectric Performance in CuInTe 2 Compounds0A Sustainable Brand‐New Thermoelectric Cooling Material: High‐Mobility Diamondoid Cu 3 SbSe 4 Crystal0Defect-controlled charge transport in Ge–Sb–Bi–Te layered solid solutions0

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  4. Ultrafast Combustion Synthesis and High Thermoelectric Performance of Mg 3 Sb 2- x Bi x -Based Compounds

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  13. Atomic-Resolution Interfacial Reaction Mechanism between Bi 2 Te 3 -Based Alloys and Ni Electrodes

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  47. Regulating the Local Order of Cations Significantly Enhances the Thermoelectric Performance of Pb-Doped AgSbSe2

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  48. Intrinsically Ultra-low Lattice Thermal Conductivity and Excellent Thermoelectric Performance in Complex Layered Pb4In2.8Bi3.2Se13 Compound

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  49. Revealing novel SrO monolayer: A high-performance thermoelectric and optoelectronic material for sustainable energy conversion

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  50. Promoting p‐Type PbS as Efficient Candidates for Thermoelectric Cooling and Power Generation

    Advanced Functional Materials · 2025-09-04

    Suyao Liu, Shulin Bai, Tian Hong Gao, Dongrui Liu, Yu Tian, Yichen Li, Jiayi Peng, Dezheng Gao, Siqi Wang, Lizhong Su, Bingchao Qin, Li‐Dong Zhao

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