Structural and Electromagnetic Signatures of Anatase and Rutile NTs and Sheets in Three Different Water Models under Different Temperature Conditions

Experimental studies of TiO2 nanotubes have been conducted for nearly three decades and have revealed the remarkable advantages of this material. Research based on computer simulations is much rarer, with research using density functional theory (DFT) being the most significant in this field. It sho...

• Autor principal: Estévez-Ruiz, Eduardo (author)
• Altres autors: Thirumuruganandham, Saravana Prakash (author), López-Lago, Joaquín (author)
• Format: article
• Idioma: eng
• Publicat: 2023
• Accés en línia: https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10573416/; https://hdl.handle.net/20.500.14809/6133