Elastic Properties of Rutile TiO2 at High Temperature

Dependence of elastic properties on temperature for rutile TiO2 is investigated by the Cambridge Serial Total Energy Package （CASTEP） program in the frame of density function theory （DFT） and the quasi-harmonic Debye model The six independent elastlc constants of rutile TiO2 at high temperature are theoretically obtained for the first time. It is found that with increasing temperature, the elastic constants will decrease monotonically. Moreover, we successfully obtain the polycrystalline moduli BH and GH, as well as the Debye temperature ⊙D.

Photocatalytic degradation of organic pollutants using green oil palm frond-derived carbon quantum dots/titanium dioxide as multifunctional photocatalysts under visible light radiation

The present work suggested the use of waste oil palm frond as an alternative precursor for nitrogendoped carbon quantum dots(NCQDs)and proposed a straightforward in-situ hydrothermal method for the preparation of NCQDs/TiO_(2)nanocomposites.The elemental composition,morphological,structural and optical characteristics of NCQDs/TiO_(2)nanocomposites have been comprehensively investigated.The successful grafting of NCQDs on TiO_(2)matrix was confirmed by the formation of Ti AOAC bond and the electronic coupling between theπ-states of NCQDs and the conduction band of TiO_(2).For the first time,the oil palm frond-derived NCQDs/TiO_(2)was adopted in the photodegradation of methylene blue(MB)under visible-light irradiation.As a result,the photocatalytic efficiency of NCQDs/TiO_(2)nanocomposites(86.16%)was 2.85 times higher than its counterpart TiO_(2)(30.18%).The enhanced performance of nanocomposites was attributed to the pivotal roles of NCQDs serving as electron mediator and visiblelight harvester.Besides,the optimal NCQDs loading was determined at 4 ml while the removal efficiency of NCQDs/TiO_(2)-4 was the highest at a catalyst dosage of 1 g.L^(-1)under alkaline condition.This research work is important as it proposed a new insight to the preparation of biomass-based NCQDs/TiO_(2)using a facile synthetic method,which offers a green and sustainable water remediation technology.

Photocatalytic Removal of Organic Pollutants from Industrial Wastewater Using TiO₂Catalyst

Degradation of organic pollutants in wastewater was investigated by photocatalysis method using anatase modification of titanium-dioxide (TiO2) catalyst with different structures. Laboratory experiments were carried out with industrial wastewaters consisting of different contents of organic pollutants. Two types of TiO2 catalyst: TiO2 having a size near to nanoparticles (about 3 - 4 micron in size) and the nanostructured 15 nm sized TiO2 were used to find optimum conditions of photocatalytic degradation and removal of organic compounds from wastewater. This paper discusses the effect of various parameters on the degradation rate including the catalyst concentration, process duration as well as the catalytic effectiveness of the TiO2 particles’ size. In addition, the effect of UV and visible light sources on the degradation process was studied. The process performed with nanostructured TiO2 catalyst under visible light was very successfully allowing best degradation of organic compounds.