期刊
SURFACE & COATINGS TECHNOLOGY
卷 388, 期 -, 页码 -出版社
ELSEVIER SCIENCE SA
DOI: 10.1016/j.surfcoat.2020.125563
关键词
Band structures; Absorption distances and energies; Two-dimensional materials
资金
- Ministry of Science and Technology, Taiwan [MOST-108-2218-E-006-024, 1072112-M-001-036-MY3, 108-2218-E-006-023, 108-2221-E-006-138]
- Academia Sinica, Taiwan [AS-iMATE-109-41]
Using first-principles calculations, we investigate the effect of absorbing different sizes of gold nanoparticles on a WSe2 monolayer. We find that absorption is via van der Waals interaction, giving different stable distances and adsorption energies for various sizes of gold nanoparticles. The absorbed Au nanoparticles dope the WSe2 monolayer and induce flat bands around the Fermi level, affecting the conductance of the systems. In addition, these calculated results form a data set for further machine learning studies. Combined with artificial neural network and genetic algorithm, the absorption energies and electronic states of extended systems are predicted.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据