The Efficacy of Fiction or More on the Charge State of Ti in TiO2 and Formal Oxidation States
Daniel Koch, Sergei Manzhos
TL;DR
This paper challenges the conventional view of titanium's oxidation state in TiO2, arguing that Ti4+ does not accurately describe its charge state, prompting a reevaluation of its electronic structure.
Contribution
It introduces a new perspective on titanium's charge state in TiO2, questioning the traditional Ti4+ model and suggesting alternative descriptions.
Findings
Ti4+ is not a realistic charge state for Ti in TiO2
The charge state of Ti in TiO2 may differ from the formal oxidation state
Reevaluation of electronic structure models for TiO2
Abstract
We argue that Ti4+ is not a realistic description of Ti in TiO2.
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Taxonomy
TopicsThermal and Kinetic Analysis · Catalytic Processes in Materials Science · Catalysis and Oxidation Reactions