Atomistic DFT simulations are promising techniques for the discovery of hydrogen storage materials. Journal of Engineering, Science and Technological Trends, [S. l.], v. 1, n. 2, 2024. DOI: 10.48112/jestt.v1i2c.6. Disponível em: https://journals.scopua.com/index.php/JESTT/article/view/28. Acesso em: 28 feb. 2026.