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收藏A new quaternary sphalerite-derivative compound for thermoelectric applications: Cu7VSnS8一种新型四元内锌矿衍生化合物用于热电应用：Cu7VSnS8
Kozai, Shuya; Suekuni, Koichiro; Takahashi, Seiya; Nishibori, Eiji; Kasai, Hidetaka; Siloi, Ilaria; Fornari, Marco; Saito, Hikaru; Sauerschnig, Philipp; Lemoine, Pierric; Guilmeau, Emmanuel; Raveau, Bernard; Ohtaki, Michitaka 分享 收藏 Three-Fold Coordination of Copper in Sulfides: A Blockade for Hole Carrier Delocalization but a Driving Force for Ultralow Thermal ConductivityMaji, Krishnendu; Raveau, Bernard; Lemoine, Pierric; Boullay, Philippe; Acharyya, Paribesh; Shen, Xingchen; Renaud, Adele; Pelletier, Vincent; Gautier, Regis; Carnevali, Virginia; Fornari, Marco; Zhang, Bin; Zhou, Xiaoyuan; Lenoir, Bertrand; Candolfi, Christophe; Guilmeau, Emmanuel 分享 收藏 How to verify the precision of density-functional-theory implementations via reproducible and universal workflows如何通过可重复和通用的工作流程验证密度泛函理论实现的精度Bosoni, Emanuele; Beal, Louis; Bercx, Marnik; Blaha, Peter; Bluegel, Stefan; Broeder, Jens; Callsen, Martin; Cottenier, Stefaan; Degomme, Augustin; Dikan, Vladimir; Eimre, Kristjan; Flage-Larsen, Espen; Fornari, Marco; Garcia, Alberto; Genovese, Luigi; Giantomassi, Matteo; Huber, Sebastiaan P.; Janssen, Henning; Kastlunger, Georg; Krack, Matthias; Kresse, Georg; Kuehne, Thomas D.; Lejaeghere, Kurt; Madsen, Georg K. H.; Marsman, Martijn; Marzari, Nicola; Michalicek, Gregor; Mirhosseini, Hossein; Mueller, Tiziano M. A.; Petretto, Guido; Pickard, Chris J.; Ponce, Samuel; Rignanese, Gian-Marco; Rubel, Oleg; Ruh, Thomas; Sluydts, Michael; Vanpoucke, Danny E. P.; Vijay, Sudarshan; Wolloch, Michael; Wortmann, Daniel; Yakutovich, Aliaksandr V.; Yu, Jusong; Zadoks, Austin; Zhu, Bonan; Pizzi, Giovanni 分享 收藏 分享 收藏 Pseudobinary Approach to the Discovery and Design of Copper-Based SulfidesHagiwara, Takashi; Suekuni, Koichiro; Lemoine, Pierric; Prestipino, Carmelo; Elkaim, Erik; Supka, Andrew R.; Al Orabi, Rabih Al Rahal; Fornari, Marco; Guilmeau, Emmanuel; Raveau, Bernard; Saito, Hikaru; Sauerschnig, Philipp; Ohta, Michihiro; Kanemori, Yui; Ohtaki, Michitaka 分享 收藏 分享 收藏 aflow plus plus : A C plus plus framework for autonomous materials designOses, Corey; Esters, Marco; Hicks, David; Divilov, Simon; Eckert, Hagen; Friedrich, Rico; Mehl, Michael J.; Smolyanyuk, Andriy; Campilongo, Xiomara; van de Walle, Axel; Schroers, Jan; Kusne, A. Gilad; Takeuchi, Ichiro; Zurek, Eva; Nardelli, Marco Buongiorno; Fornari, Marco; Lederer, Yoav; Levy, Ohad; Toher, Cormac; Curtarolo, Stefano 分享 收藏 分享 收藏 分享 收藏 分享 收藏 A Tunable Structural Family with Ultralow Thermal Conductivity: Copper-Deficient Cu1-x□xPb1-xBi1+xS3Maji, Krishnendu; Lemoine, Pierric; Renaud, Adele; Zhang, Bin; Zhou, Xiaoyuan; Carnevali, Virginia; Candolfi, Christophe; Raveau, Bernard; Al Orabi, Rabih Al Rahal; Fornari, Marco; Vaqueiro, Paz; Pasturel, Mathieu; Prestipino, Carmelo; Guilmeau, Emmanuel 分享 收藏 分享 收藏 Long-Range Cationic Order Collapse Triggered by S/Cl Mixed-Anion Occupancy Yields Enhanced Thermoelectric Properties in Cu5Sn2S7Guelou, Gabin; Kumar, Ventrapati Pavan; Carnevali, Virginia; Lebedev, Oleg I.; Raveau, Bernard; Couder, Christophe; Prestipino, Carmelo; Lemoine, Pierric; Malaman, Bernard; Juraszek, Jean; Candolfi, Christophe; Lenoir, Bertrand; Al Orabi, Rabih Al Rahal; Fornari, Marco; Guilmeau, Emmanuel 分享 收藏 Advanced modeling of materials with PAOFLOW 2.0: New features and software designCerasoli, Frank T.; Supka, Andrew R.; Jayaraj, Anooja; Costa, Marcio; Siloi, Ilaria; Slawinska, Jagoda; Curtarolo, Stefano; Fornari, Marco; Ceresoli, Davide; Nardelli, Marco Buongiorno 分享 收藏 Local-Disorder-Induced Low Thermal Conductivity in Degenerate Semiconductor Cu22Sn10S32Kumar, Ventrapati Pavan; Lemoine, Pierric; Carnevali, Virginia; Guelou, Gabin; Lebedev, Oleg, I; Raveau, Bernard; Al Orabi, Rabih Al Rahal; Fornari, Marco; Candolfi, Christophe; Prestipino, Carmelo; Menut, Denis; Malaman, Bernard; Juraszek, Jean; Suekuni, Koichiro; Guilmeau, Emmanuel 分享 收藏 Key Role of d0 and d10 Cations for the Design of Semiconducting Colusites: Large Thermoelectric ZT in Cu26Ti2Sb6S32 CompoundsHagiwara, Takashi; Suekuni, Koichiro; Lemoine, Pierric; Supka, Andrew R.; Chetty, Raju; Guilmeau, Emmanuel; Raveau, Bernard; Fornari, Marco; Ohta, Michihiro; Al Orabi, Rabih Al Rahal; Saito, Hikaru; Hashikuni, Katsuaki; Ohtaki, Michitaka 分享 收藏 分享 收藏 分享 收藏 Ordered sphalerite derivative Cu5Sn2S7: a degenerate semiconductor with high carrier mobility in the Cu-Sn-S diagramPavan Kumar, Ventrapati; Lemoine, Pierric; Carnevali, Virginia; Guelou, Gabin; Lebedev, Oleg I.; Boullay, Philippe; Raveau, Bernard; Al Rahal Al Orabi, Rabih; Fornari, Marco; Prestipino, Carmelo; Menut, Denis; Candolfi, Christophe; Malaman, Bernard; Juraszek, Jean; Guilmeau, Emmanuel 分享 收藏 
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