Study of anatase to rutile phase transformation

Presented by: Gaganjot Singh (601202004) M.Tech. [MSE] SPMS, Thapar University, Patiala .

Under supervision of: Dr. Poonam Uniyal Asst. professor, SPMS Thapar University, Patiala.

Titanium Dioxide
Titanium dioxide is the naturally occurring oxide of titanium, chemical

formula TiO2.
Titanium dioxide occurs in nature as brookite, rutile and anatase. Potential applications are:

Pigment
Sunscreen and UV blocking pigments. Photocatalyst Electronic data storage medium.

Rutile
It is the most common available polymorph of Titanium Oxide. It has a primitive Tetragonal unit cell. The titanium cations (white ball) have a coordination number of 6 i.e. they are surrounded by an octahedron of 6 oxygen atoms. Similarly oxygen (red ball) anions have a co-ordination number of 3.

Anatase
Anatase is the one of the polymorph of Titanium Oxide. It is a meta stable form (phase) of Titanium Oxide. It crystallizes in a Tetragonal crystal structure. It posses more efficient photo catalytic activity as compared to rutile.

Why anatase transforms to rutile ??

As anatase is metastable phase of TiO2, at high temperatures it tends to transforms into the rutile phase . As rutile is more stable phase even at high temperature.

Anatase transforms to rutile at a temperature range of 400 C to 1200 C.

While working as gas sensor or gas separation membranes (at high

temperature) anatase may transforms to rutile leading to change in their properties.

Anatase to Rutile transformation [ART]

ART is a nucleation and grain growth process. The kinetics of the transformations ( i.e. temperature and time) depends on variables like impurities, morphology, sample preparation method, heat flow conditions etc. It is not a instantaneous process. Rutiles (100) nucleate at (112) of the parent anatase. This transformation is a reconstructive process i.e. breaking of old bonds and forming of new bonds. Transformation from anatase to rutile leads to decease in volume up to 8%.

Rutile Anatase mixture

Due to incomplete transformation rutile and anatase mixture is formed. Mixed phase photocatalyst show better photo catalytic activity than any of the single phase titania. This happens due to increased electron hole recombination time, as electron gets trapped in the rutile phase.

Thermodynamics of transformation
At all temperatures and pressures rutile is more stable than anatase.

Thus the transformation of rutile is irreversible.

Transformation may occur with in the range of temperature depending on the factors like particle size and shape, surface area, atmosphere, heating

rate etc.

Kinetics of transformation
Rate of transformation also depend on the experimental conditions.

Rate of rearrangement and transformation increases with increase in the

presence of oxygen vacancies.

Photocatalytic Effect
Photocatalysis is the acceleration of a photoreaction with the help of

a catalyst.
It is help full in air, water purification.

Thank you