Single-metal-atom chains (SMACs) possess unique quantum properties yet suffer from structural instability. Here, the authors develop a computational protocol to screen transition metals capable of forming SMACs that are coherently confined in MoS2 twin boundaries and stabilised by surrounding lattices. Their theoretical predictions are validated by experimentally synthesised Co, Ni, Pd, and Pt atomic chains.
- Wen Qin
- Shasha Guo
- Zhuhua Zhang