Revealing trends in catalytic activity of adatoms for hydrogen adsorption on carbon: A case study of graphene and carbon nanotube

This publication has 33 references indexed in Scilit:

• Hydrogen adsorption on pristine and modified graphene: DFT insights into defects, doping, and decoration
  International Journal of Hydrogen Energy, 2025
• TeaNet: Universal neural network interatomic potential inspired by iterative electronic relaxations
  Computational Materials Science, 2022
• Hydrogen storage in boron-doped carbon nanotubes: Effect of dopant concentration
  International Journal of Hydrogen Energy, 2021
• Effect of Pt nanoparticle decoration on the H2 storage performance of plasma-derived nanoporous graphene
  Carbon, 2021
• Functionalized graphene materials for hydrogen storage
  Journal of Materials Science, 2019
• New aspects in the study of carbon-hydrogen interaction in hydrogenated carbon nanotubes for energy storage applications
  Journal of Alloys and Compounds, 2019
• Beryllium-doped single-walled carbon nanotubes with Stone-Wales defects: A promising material to store hydrogen at room temperature
  International Journal of Hydrogen Energy, 2017
• Hydrogen storage in carbon nanostructures via spillover
  International Journal of Hydrogen Energy, 2016
• Electronic structure of hydrogenated carbon nanotubes studied by core level spectroscopy
  Journal of Electron Spectroscopy and Related Phenomena, 2014
• Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
  Computational Materials Science, 1996