Chalcogen Impurity Barriers in 2D Systems via Semi-Empirical/Machine Learning Modeling: A Survey of 4000 Materials

M. L. Pereira, M. G. E. da Luz, P. Cesana, A. L. da Rosa, M. J. Piotrowski, D. Guedes-Sobrinho, T. A. S. Pereira, E. A. Moujaes, A. C. Dias, R. M. Tromer

Open source

DOI
10.1021/acs.jctc.6c00350
Published
2026-07-20
Container
Journal of Chemical Theory and Computation
Publisher
American Chemical Society (ACS)
Open access
unknown

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BibTeX

@article{allodium:10.1021/acs.jctc.6c00350,
  title = {Chalcogen Impurity
Barriers in 2D Systems via Semi-Empirical/Machine
Learning Modeling: A Survey of 4000 Materials},
  author = {M. L. Pereira and M. G. E. da Luz and P. Cesana and A. L. da Rosa and M. J. Piotrowski and D. Guedes-Sobrinho and T. A. S. Pereira and E. A. Moujaes and A. C. Dias and R. M. Tromer},
  year = {2026},
  journal = {Journal of Chemical Theory
and Computation},
  doi = {10.1021/acs.jctc.6c00350},
  url = {https://doi.org/10.1021/acs.jctc.6c00350}
}

RIS

TY  - JOUR
TI  - Chalcogen Impurity
Barriers in 2D Systems via Semi-Empirical/Machine
Learning Modeling: A Survey of 4000 Materials
AU  - M. L. Pereira
AU  - M. G. E. da Luz
AU  - P. Cesana
AU  - A. L. da Rosa
AU  - M. J. Piotrowski
AU  - D. Guedes-Sobrinho
AU  - T. A. S. Pereira
AU  - E. A. Moujaes
AU  - A. C. Dias
AU  - R. M. Tromer
PY  - 2026
JO  - Journal of Chemical Theory
and Computation
DO  - 10.1021/acs.jctc.6c00350
UR  - https://doi.org/10.1021/acs.jctc.6c00350
ER  - 

APA

Pereira, M. L., Luz, M. G. E. D., Cesana, P., Rosa, A. L. D., Piotrowski, M. J., Guedes-Sobrinho, D., Pereira, T. A. S., Moujaes, E. A., Dias, A. C., & Tromer, R. M. (2026). Chalcogen Impurity Barriers in 2D Systems via Semi-Empirical/Machine Learning Modeling: A Survey of 4000 Materials. Journal of Chemical Theory and Computation. https://doi.org/10.1021/acs.jctc.6c00350

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