Chemistry of Materials • Vol 33 • No 13
Predicting and Synthesizing Interface Stabilized 2D Layers
June 2021 • Danielle M. Hamann, Sven P. Rudin, Tomoya Asaba, F. Ronning, Dmitri Leo Mesoza Cordova, Ping Lu, David C. Johnson
The compound (Pb<sub>2</sub>MnSe<sub>3</sub>)<sub>0.6</sub>VSe<sub>2</sub> was predicted to be kinetically stable based on density functional theory (DFT) calculations on an island of Pb<sub>2</sub>MnSe<sub>3</sub> between layers of VSe<sub>2</sub>. This approach provides a high degree of freedom by not forcing interlayer lattice match, making it ideal to investigate the likelihood of formation of new incommensurate layer misfit st…