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Three-Fold Coordination of Copper in Sulfides: A Blockade for Hole Carrier Delocalization but a Driving Force for Ultralow Thermal Conductivity.

Krishnendu Maji,Bernard Raveau,Pierric Lemoine,Philippe Boullay,Paribesh Acharyya,Xingchen Shen,Adele Renaud,Vincent Pelletier,Regis Gautier,Virginia Carnevali,Marco Fornari,Bin Zhang,Xiaoyuan Zhou,Bertrand Lenoir,Christophe Candolfi,Emmanuel Guilmeau

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY（2024）

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Materials Modelling
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