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Wang, Meng-hui; Cui, Zhong-hua; Wang, Sheng; Li, Quan; Zhao, Jijun; Chen, Zhongfang (, Chemical Science)Using a starlike Be 6 Au 7 − cluster as a building block and following the bottom-up strategy, an intriguing two-dimensional (2D) binary s-block metal Be 2 Au monolayer with a P 6/ mmm space group was theoretically designed. Both the Be 6 Au 7 − cluster and the 2D monolayer are global minima featuring rule-breaking planar hexacoordinate motifs (anti-van't Hoff/Le Bel arrangement), and their high stabilities are attributed to good electron delocalization and electronic-stabilization-induced steric force. Strikingly, the Be 2 Au monolayer is a rare Dirac material with two perfect Dirac node-loops in the band structure and is a phonon-mediated superconductor with a critical temperature of 4.0 K. The critical temperature can be enhanced up to 11.0 K by applying compressive strain at only 1.6%. This study not only identifies a new binary s-block metal 2D material, namely Be 2 Au, which features planar hexacoordination, and a candidate superconducting material for further explorations, but also provides a new strategy to construct 2D materials with novel chemical bonding.more » « less
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Cui, Zhong-hua; Wang, Meng-hui; Lischka, Hans; Kertesz, Miklos (, JACS Au)
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Wang, Nan; Ning, Shunlian; Yu, Xiaolong; Chen, Di; Li, Zilong; Xu, Jinchang; Meng, Hui; Zhao, Dengke; Li, Ligui; Liu, Qiming; et al (, Applied Catalysis B: Environmental)