High-throughput ab initio screening for two-dimensional electride materials.

@article{Tada2014HighthroughputAI,
  title={High-throughput ab initio screening for two-dimensional electride materials.},
  author={Tomofumi Tada and Seiji Takemoto and Satoru Matsuishi and Hideo Hosono},
  journal={Inorganic chemistry},
  year={2014},
  volume={53 19},
  pages={10347-58}
}
High-throughput ab initio screening of approximately 34000 materials in the Materials Project was conducted to identify two-dimensional (2D) electride materials, which are composed of cationic layers and anionic electrons confined in a 2D empty space. The screening was based on three indicators: (1) a positive total formal charge per formula unit; (2… CONTINUE READING