Improved tight-binding charge transfer model and calculations of energetics of a step on the rutile TiO2(110) surface

Emile Maras, N. Salles, R. Tétot, Tapio Ala-Nissila, Hannes Jónsson

Research output: Contribution to journalArticleScientificpeer-review

2 Citations (Scopus)
Original languageEnglish
Pages (from-to)10391-10399
JournalJournal of Physical Chemistry C
Volume119
Issue number19
DOIs
Publication statusPublished - 2015
MoE publication typeA1 Journal article-refereed

Keywords

  • potential
  • reconstruction
  • steps
  • titania

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