Acharya, Somnath Hwang, Junphil Kim, Kwangrae 김정원 Hwang, Woohyun Soon, Aloysius Kim, Woochul 2024-01-12T06:35:25Z 2024-01-12T06:35:25Z 2023-05-09 2023-07 2211-2855 https://pubs.kist.re.kr/handle/201004/79893 Here, we suggest that the quasi-random distribution of distorted nanostructures (QDDN), which is unique in high-entropy materials, is the reason for superior TE properties. The general high entropy material consists of several atoms with disordered lattice in atomic scale. Our QDDN showed nanoscale disorder because the consisting atoms were not distributed fully randomly. The order of compositional distribution was found as 40~60 nm, which causes high level of lattice-strain-induced distortion. The underlying mechanism of phonon scattering by QDDN was clarified by theoretical analysis. The high level of lattice strain induced by QDDN causes strong phonon scattering in entire phonon spectrum. A low κlat of ~0.38 W/m-K at 850 K was achieved in a CuGaTe2-based high-entropy chalcopyrite material. However, the power factor was not significantly affected due to the high crystallinity, despite the QDDN. Therefore, a zT of ~1.56 at 850 K was attained in a Cu0.8Ag0.2[Ga0.8In0.2]0.99Zn0.01Te2 compound, which represented a 132% enhancement from pure CuGaTe2. These results elucidate recent zT increases in high-entropy materials and can be a step towards further enhancements of zT in materials. English Elsevier BV Quasi-random distribution of distorted nanostructures enhances thermoelectric performance of high-entropy chalcopyrite Article 10.1016/j.nanoen.2023.108493 1 Nano Energy, v.112 Nano Energy 112 N scie scopus 001009137200001 Chemistry, Physical Nanoscience & Nanotechnology Materials Science, Multidisciplinary Physics, Applied Chemistry Science & Technology - Other Topics Materials Science Physics Article ULTRALOW THERMAL-CONDUCTIVITY TOTAL-ENERGY CALCULATIONS POWER-FACTOR CUINTE2 Thermoelectric High-entropy Nanostructures Lattice thermal conductivity Lattice strain