Assessment of van der Waals inclusive density functional theory methods for layered electroactive materials

作者：Lozano Ariel; Escribano Bruno; Akhmatskaya Elena; Carrasco Javier

来源：Physical Chemistry Chemical Physics, 2017, 19(15): 10133-10139.

DOI：10.1039/c7cp00284j

This work provides solid guidance for the selection of accurate and robust vdW-inclusive methods for high-throughput computational screening of layered electroactive materials.

• 出版日期2017-4-21