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  1. Article

    Open Access

    Pushing thermal conductivity to its lower limit in crystals with simple structures

    Materials with low thermal conductivity usually have complex crystal structures. Herein we experimentally find that a simple crystal structure material AgTlI2 (I4/mcm) owns an extremely low thermal conductivity o...

    Zezhu Zeng, **ngchen Shen, Ruihuan Cheng, Olivier Perez in Nature Communications (2024)

  2. Article

    Open Access

    Mechanistic insight on water dissociation on pristine low-index TiO2 surfaces from machine learning molecular dynamics simulations

    Water adsorption and dissociation processes on pristine low-index TiO2 interfaces are important but poorly understood outside the well-studied anatase (101) and rutile (110). To understand these, we construct thr...

    Zezhu Zeng, Felix Wodaczek, Keyang Liu, Frederick Stein in Nature Communications (2023)

  3. Article

    Open Access

    Leveraging bipolar effect to enhance transverse thermoelectricity in semimetal Mg2Pb for cryogenic heat pum**

    Toward high-performance thermoelectric energy conversion, the electrons and holes must work jointly like two wheels of a cart: if not longitudinally, then transversely. The bipolar effect — the main performanc...

    Zhiwei Chen, **nyue Zhang, Jie Ren, Zezhu Zeng, Yue Chen, Jian He in Nature Communications (2021)