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RESEARCH PAPER · Nature Reviews Chemistry · 2025

Exploiting chemical bonding principles to design high-performance thermoelectric materials

Anthony V. Powell, Paz Vaqueiro, Sahil Tippireddy, Jesús Prado‐Gonjal

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Exploiting chemical bonding principles to design high-performance thermoelectric materialsOriginalMultidimensional structural design of pioneer oxide ceramics with melting points above 3000 °C0Interfacial chemical bond engineering on a Te semiconductor to weaken carrier–phonon coupling to boost thermoelectric conversion performance3Power dressing0Toward Efficient Thermoelectric Materials and Devices: Advances, Challenges, and Opportunities259Compositional and structural evolution advance thermoelectric performance of copper sulfides2Unravelling the Influence of the Local Structure on the Ultralow Thermal Conductivity of the Bismuthinite–Aikinite Series, Cu1–x□xPb1–xBi1+xS31Breaking the 3000 °C melting temperature barrier of oxide ceramics13Ionogels for Thermoelectric Energy Conversion: A Critical Review of Materials Design Strategies and Application Prospects6Reduced thermal conductivity and enhanced thermoelectric performance of tetra-pentagonal CdAs monolayer through structural engineering8Tellurides as Zintl phases—to be or not to be?1Ab initio investigation of the structural, electronic, optical, and thermoelectric properties of absorber materials AuAlS2 and AuInS2 for enhanced solar panel efficiency0Bismuth selenide topological insulator materials for green energy devices: prospects and applications2Advancements and challenges in printed thermoelectrics20The Predictive Power of Chemical Bonding Analysis in Materials: A Perspective on Optoelectronic Properties4Intrinsic Relaxor Ferroelectric Driven Ultralow Glassy Thermal Conductivity in AgPbSbSe 35Strain-insensitive MXene-based wearable temperature patch with integrated thermoelectric cooling for continuous infant thermal monitoring and in-situ treatment7Avoided crossing phonons realize high thermoelectric performance in clathrate $\mathrm{LaB_3C_3}$0Emergence of GeSe-based thermoelectric materials empowered by structural modulations and metavalent bonding0Functionally graded thermoelectric materials/devices: a review on experimental techniques and computational modelling for performance improvement0Large thermoelectric effect driven by high-order anharmonicity from synergistic lone-pair electrons and rattling modes in K 3 Au 3 Sb 20Zintl thermoelectrics: from impactful materials to real-world applications0Defect Engineering for Synergistically Enhanced Thermoelectric Performance in n-Type CaTiO 3 via Weakened Bond Polarity and Lattice Softening1Facilely Scalable Copper Telluride Photodetectors with On-Chip Spectral Selectivity Enabled by Laser-Direct-Written Gratings0High-Entropy Skutterudites as Thermoelectrics: Potential Synthesizability, Enhanced Stability, and Band Convergence via the Cocktail Effect1Probing Chemical Bond Energy Using an Instructional Mass Spectrometer for Undergraduate Experiments1Recent progress in cellulose-based flexible thermoelectric devices: Materials, designs, mechanisms, and applications4Atomic-Scale Chemical Inhomogeneity as a Determinant of Thermoelectric Transport in Bi 2 Te 3 -Based Materials2Flexible and compressible thermoelectric foam for temperature–pressure dual sensor2Synergistic shallow impurity levels and multiscale defect engineering in GeTe-based thermoelectrics5Chemical bonding manipulation unlocks high performance ionic-bonded thermoelectrics0Cu-based thermoelectrics: Frontiers, challenges, and prospects11Improving the Seebeck coefficient of flexible thermoelectric sensors: Material design, structure engineering and beyond7Chemical bonding at surfaces and interfaces: a unifying concept in heterogeneous catalysis0Contrasting Lone-Pair Stereochemistry in Sb 3+ and Bi 3+ Chalcogenides: Implications for Structure and Phonon Transport2Enhanced thermoelectric properties of β-FeSi2/g-C3N4 nanocomposites: structural, morphological, and electrical transport insights0Antibonding Lone Pairs as Hidden Drivers of Bonding, Dynamics, and Energy Performance0Flexibilizing inorganic thermoelectrics5Preparation and performance of wearable flexible thermoelectric devices based on laser-induced graphene/PEDOT:PSS composites3Weak Polar Optical Phonon Scattering Decouples Electron and Phonon Transport in Layered Thermoelectric Materials2Study on the anisotropic X-ray detection performance of lead molybdate single crystal0Decoupling electron and phonon transport via porous single-crystalline microstructure0Structural origins of the thermal properties of Ba2BiInSe50Theoretical Insights on Thermoelectric Properties of SbXY (X = Se, Te; Y = Br, I) Janus Layers1Designing advanced thermoelectrics10Phase-dependent thermoelectric performance of MnIn2Te40Manipulating bond polarity and multiscale defect architectures for high-performance near-room-temperature Mg3(Sb, Bi)2 thermoelectrics1NIR‐II Light‐Triggered Electron Flow Initiates Cuproptosis‐Centered Thermoelectric‐Immunotherapy for Breast Cancer0Chemical Anchoring of Excess Silver and Asymmetric Band Reshaping Enable High-Performance N -Type PbTe Thermoelectrics0Phase diagram engineering advances the thermoelectric performance of Zintl phase EuZn2Sb22Advanced characterization techniques and protective mechanism investigation methodologies for ultra-high temperature thermal protective materials2High pressure synthesis of sulfur-filled and tellurium-substituted skutterudites with enhanced thermoelectric performance0Pressure-induced electronic structure evolution, optical response, and thermoelectric transport in monoclinic Ga6SnTe10: a first-principles study0Strong anharmonicity driven wave-like thermal transport and high thermoelectric performance in TlCu 5 Se 31A multicomponent (Zr, Hf, Mo)O2 oxide ceramic with high melting point: DFT/AIMD calculations and experimental study0Dual-functional Bi2Se3 incorporation enables synergistic optimization of carrier and phonon transport in n-type PbS1Coupled carrier–phonon–ion transport in binary copper-based superionic conductors: thermoelectric performance, stability, and devices0Harnessing Chemical Bonding Principle to Modulate Carrier Transport and Thermoelectric Performance in Pentagonal HgSe2 Monolayer0Mixed-Anion Mischief: Lone Pairs Meet Ionic Bonds to Suppress Thermal Transport in Quasi-1D Bi3Se4Br0

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