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Size-dependent trends in the hydrogen evolution activity and electronic structure of MoS(2) nanotubes
The thermodynamics of hydrogen evolution on MoS(2) nanotubes is studied for the first time using periodic density functional theory calculations to obtain hydrogen adsorption free energies (ΔG(H(ads))) on pristine nanotubes and those with S-vacancy defects. Armchair and zigzag MoS(2) nanotubes of di...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
RSC
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9417140/ https://www.ncbi.nlm.nih.gov/pubmed/36132669 http://dx.doi.org/10.1039/d1na00441g |