Substrate-aware computational design of two-dimensional materials

Two-dimensional (2D) materials have attracted considerable attention due to their remarkable electronic, mechanical and optical properties, making them prime candidates for next-generation electronic

DataCite Commons2026-03-12 更新40

Two-dimensional materials from high-throughput computational exfoliation of ...

Two-dimensional (2D) materials have emerged as promising candidates for next-generation electronic and optoelectronic applications. Yet, only a few dozens of 2D materials have...

B2FIND30

Efficient computation of optical excitations in two-dimensional materials with the Xatu code

Here we describe an efficient numerical implementation of the Bethe-Salpeter equation to obtain the excitonic spectrum of semiconductors. This is done on the electronic structure calculated either at

DataCite Commons2025-04-01 更新40