Interfacial oxygen vacancy modulated ZIF-8-derived ZnO/CuS for the photocatalytic degradation of antibiotic and organic pollutants: DFT calculation and degradation …

A Mariappan, P Mannu, T Thiruppathiraja… - Chemical Engineering …, 2023 - Elsevier
Fabricating oxygen vacancies (Vo) is an effective approach to enhance photocatalytic
performance, but its effect on the interfacial charge transfer pathway remains unelucidated to …

Catalytic activity of OH functionalized N-doped graphene in oxygen reduction reaction for fuel cell applications: a DFT study

T Thiruppathiraja, S Lakshmipathi - Applied Physics A, 2023 - Springer
Catalytic behavior of metal-free hydroxyl group (OH) functionalized single nitrogen (N-Gra
(OH) 16) and triple nitrogen (N3-Gra (OH) 16) doped graphene surface are investigated in …

Theoretical investigations of hydroxyl-functionalized iron-doped phthalocyanine photocatalyst for efficient CO2 reduction to methanol and methane

T Thiruppathiraja, B Rhimi, N Zhang, M Zhou… - Chemical Engineering …, 2025 - Elsevier
The photocatalytic CO 2 reduction reaction (CO 2 RR) has garnered significant attention.
Current research is focused on improving the photocatalytic performance of iron …

Diethylaminophenol appended pyrimidine bis hydrazone for the sequential detection of Al3+ and PPi ions

O Anitha, T Thiruppathiraja, S Lakshmipathi… - … Acta Part A: Molecular …, 2023 - Elsevier
In this study, a novel easy-to-prepare diethylaminophenol appended pyrimidine bis
hydrazone (HD) has been designed and developed. The probe exhibits excellent sequential …

DFT study on a fluorine-functionalized nitrogen-and boron-doped triangulene as an electrocatalyst for the oxygen reduction reaction

T Thiruppathiraja, PNP Senthan… - Sustainable Energy & …, 2023 - pubs.rsc.org
Develo** catalyst materials alternative to platinum (Pt) for proton exchange membrane
fuel cells (PEMFCs) is a necessary ongoing research direction. In this work, we used metal …

Pyridine appended pyrimidine bis hydrazone: Zn2+/ATP detection, bioimaging and functional properties of its dinuclear Zn (II) complex

O Anitha, S Ghorai, T Thiruppathiraja, H Amir… - Talanta, 2024 - Elsevier
A pyridine functionalized pyrimidine-based system, H2P was successfully synthesized,
characterized, and evaluated for its remarkable selective characteristics towards Zn 2+ and …

AIE active hydroxycoumarin-anthranilic acid coupled enamine: Sequential detection of Cu2+/S2− ions and live cell imaging application

K Suganthirani, RK Kumar, T Thiruppathiraja… - Microchemical …, 2024 - Elsevier
In this contribution, we designed and developed 7-diethylamino-4-hydroxycoumarin coupled
anthranilic acid-based enamine (DHCBA) and its Cu 2+ complex (DHCBA-Cu) via simple …

Microwave Hantzsch Synthesis of Quinolinyl-Dihydropyridines Supported by Cs-BNT Catalyst and DFT Investigations

S Mahalingam, E Muriithi Kiarii… - Polycyclic Aromatic …, 2024 - Taylor & Francis
A novel catalyst of cesium-loaded boron nitride (Cs-BNT) was synthesized by stirring the
materials at room temperature and was subsequently characterized by the spectroscopic …

Fluorescent Schiff Bases with Phenothiazine and Coumarin Moieties: Synthesis, Characterization, Photophysical, Electrochemical, Computational and Biological …

MA Doddagaddavalli, M Madar… - Journal of …, 2024 - Springer
We present the design and synthesis of four new schiff bases viz., two each of phenothiazine
and coumarin derivatives. The structures were proposed based on FT-IR, 1 H NMR, 13 C …