Image credit: Prashun Gorai; Image design: Lauren V. Robinson.

Computational methods accelerate the discovery of thermoelectric materials

Latest Reviews

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    Picoscale engineering of bonds is a powerful method to tune materials properties. Transcending nanoscience, picoscience offers the ultimate length scale to manipulate materials through subtle bond distortions between individual atoms, as this Review discusses through several examples ranging from perovskites to superconductors and to topological materials.

    • Sohrab Ismail-Beigi
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    • , Ankit S. Disa
    • , Karin M. Rabe
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    • Khalid A. Hajj
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    Tetradymite-type materials, such as Bi2Te3, have for decades been of interest as excellent thermoelectrics near ambient temperature and have recently enabled many seminal studies on topological insulators. In this Review, we discuss the recent progress in optimizing the properties of bulk and thin-film tetradymites for such studies.

    • Joseph P. Heremans
    • , Robert J. Cava
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    Inorganic oxide materials are used in semiconductor electronics, ion exchange, catalysis, coatings, gas sensors and as separation materials. In this Review, we explain how polyoxometalate clusters are amenable to molecular control and can be assembled into inorganic frameworks owing to the molecular nature of their building blocks.

    • Laia Vilà-Nadal
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  • Review Article |

    The discovery of new thermoelectric materials is challenging owing to the diversity of the chemical space and to the serial nature of experimental work. This Review highlights the recent progress in computationally guided discovery of thermoelectric materials and identifies the key outstanding challenges.

    • Prashun Gorai
    • , Vladan Stevanović
    •  & Eric S. Toberer
  • Review Article |

    Graphene and its macroscopic assemblies and composites are currently enabling a range of high-performance ‘smart’ materials that are responsive to various stimuli. In this Review, different graphene-based smart materials are described, along with their potential applications in actuators, chemical or strain sensors, self-healing materials, photothermal therapy and controlled drug delivery.

    • Xiaowen Yu
    • , Huhu Cheng
    • , Miao Zhang
    • , Yang Zhao
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