Indian Institute of Technology Indore

About: Indian Institute of Technology Indore is a education organization based out in Indore, Madhya Pradesh, India. It is known for research contribution in the topics: Fading & Support vector machine. The organization has 1606 authors who have published 4803 publications receiving 66500 citations.

Effect of the cyano group on solid state photophysical behavior of tetraphenylethene substituted benzothiadiazoles

Abstract: Two unsymmetrical tetraphenylethene (TPE) substituted Donor–Acceptor (D–A) benzothiadiazoles (BTDs) 3a, and 3b were designed and synthesized by the Suzuki cross-coupling reaction. The design strategy was opted to maintain the donor (TPE) fragment constant and the acceptor strength of BTD was modulated by using phenyl and cyanophenyl units. Their solvatochromism, aggregation induced emission (AIE) and mechanochromic properties were investigated. The BTDs 3a, and 3b exhibit strong solvatochromic and AIE behavior. The cyano-group containing BTD 3b exhibits reversible mechanochromic behavior with high color contrast between green and yellow, whereas 3a do not show mechanochromism. The solid state absorption and emission properties of BTDs 3a, and 3b show different behavior in their pristine and ground form. The powder XRD study shows a reversible morphological change between the crystalline and amorphous phase upon grinding.

Anion-Doped NaTaO3 for Visible Light Photocatalysis

Abstract: In this paper, we have employed DFT and HSE06 methods to study the doping effects on the NaTaO3 photocatalyst. N, S, C, and P monodoping and N–N, C–S, P–P, and N–P codoping have been studied. The redopants’ formation energies have been calculated, and we find S monodoping is energetically more favorable than any other elemental doping. The mechanism of anion doping on the electronic properties of NaTaO3 is discussed. We find the band gap reduces significantly if we dope with anionic elements whose p orbital energy is higher than the O 2p orbitals. N and S can shift the valence band edge upward without losing the ability to split water into H2 and O2. Double-hole-mediated codoping can decrease the band gap significantly. On the basis of our calculations, codoping with N–N, C–S, and P–P could absorb visible light. However, they can only decompose water into H2 when the valence band edge is above the water oxidation level.