Prediction of BiS2-type pnictogen dichalcogenide monolayers for optoelectronics

Abstract In this work, we introduce a 2D materials family with chemical formula MX2 (M={As, Sb, Bi} and X={S, Se, Te}) having a rectangular 2D lattice. This materials family has been predicted by systematic ab-initio structure search calculations in two dimensions. Using density-functional theory an...

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Bibliographic Details
Main Authors: José D. Mella, Muralidhar Nalabothula, Francisco Muñoz, Karin M. Rabe, Ludger Wirtz, Sobhit Singh, Aldo H. Romero
Format: Article
Language:English
Published: Nature Portfolio 2024-01-01
Series:npj 2D Materials and Applications
Online Access:https://doi.org/10.1038/s41699-023-00439-4