Da Silva, Estelina Lora; Skelton, J. M.; Rodríguez-Hernández, P.; Muñoz, A.; Santos, M. C.; Martínez-García, D.; Vilaplana Cerda, Rosario Isabel; Manjón, Francisco-Javier(The Royal Society of Chemistry, 2022-10-20)
[EN]
We report a comparative theoretical study of the Pnma and R3m phases of Sb2S3, Bi2S3, and Sb2Se3 close to ambient pressure. Our enthalpy calculations at 0 K show that at ambient pressure the R3m (tetradymite-like) ...
Krap, Cristina P.; Newby, Ruth; Dhakshinamoorthy, Amarajothi; García Gómez, Hermenegildo; Cebula, Izabela; Easun, Timothy L.; Savage, Mathew; Eyley, Jennifer E.; Gao, Shan; Blake, Alexander J.; Lewis, William; Beton, Peter H.; Warren, Mark R.; Allan, David R.; Frogley, Mark D.; Tang, Chiu C.; Cinque, Gianfelice; Yang, Sihai; Schroeder, Martin(American Chemical Society, 2016-02-01)
Metal-organic frameworks (MOFs) are usually synthesized using a single type of metal ion, and MOFs containing mixtures of different metal ions are of great interest and represent a methodology to enhance and tune materials ...