HIGHLIGHTS
- who: Edoardo Marquis from the (UNIVERSITY) have published the article: Effect of vacancies and edges in promoting water chemisorption on titanium-based MXenes, in the Journal: (JOURNAL)
- what: The authors demonstrate that physical adsorption occurs through hydrogen bonding on both defect-free layers and layers containing C/N or Ti atomic vacancies with -OH terminations providing the strongest interactions (0.40-0.65 eV). The analysis was performed by means of spin-polarized DFT calculations as implemented in the version 6.7 of the Quantum ESPRESSO suite . The authors focused on those zigzag nanoribbons having . . .
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