Research output per year
Research output per year
Description
Dataset corresponding to theoretical calculations of the paper "Electronic decoupling of polyacenes from the underlying metal substrate by sp3 carbon atoms". Communications Physics 3, 159 (2020). https://doi.org/10.1038/s42005-020-00425-y
Two folders corresponding to pentacene and dihydroheptacene structures on Ag(001):
CONTCAR files: relaxed structures in VASP format. They can be visualized with VESTA (https://jp-minerals.org/vesta/en/)
.siesta files: STM images in WsXM format (http://www.wsxm.eu/) simulated using STMpw (https://doi.org/10.5281/zenodo.3581159).
Two folders corresponding to pentacene and dihydroheptacene structures on Ag(001):
CONTCAR files: relaxed structures in VASP format. They can be visualized with VESTA (https://jp-minerals.org/vesta/en/)
.siesta files: STM images in WsXM format (http://www.wsxm.eu/) simulated using STMpw (https://doi.org/10.5281/zenodo.3581159).
| Date made available | 25-Feb-2022 |
|---|---|
| Publisher | ZENODO |
Research output
- 1 Article
-
Electronic decoupling of polyacenes from the underlying metal substrate by sp 3 carbon atoms
Mohammed, M. S. G., Colazzo, L., Robles, R., Dorel, R., Echavarren, A. M., Lorente, N. & de Oteyza, D. G., 1-Dec-2020, In: Communications Physics. 3, 1, 159.Research output: Contribution to journal › Article › Academic › peer-review
Open AccessFile