johnbosco
@srmuniv.ac.in
Assistant Professor and Chemistry
FACULTY / SRMIST
EDUCATION
M.SC PH.D
RESEARCH INTERESTS
PHOTOCATALYSIS
Scopus Publications
Scopus Publications
Ramalingam Mahaan, Moorthy Gnanasekar Narendran, Joseph John Alphin, and Aruljothy John Bosco
American Chemical Society (ACS)
The scarcity of novel luminogens significantly impedes the advancement of TADF sensitizers and hot exciton emitters, attracting considerable attention for their potential to enhance energy conversion efficiencies in hyperfluorescent OLEDs. In this study, a systematic investigation is employed to design and develop multifunctional materials based on carborane cores through DFT and TD-DFT methods. In pursuit of this objective, 45 carborane triad-type molecules were systematically designed using four donors and two acceptor units. Electronic structure calculations revealed that (i) the singlet, triplet, ΔEST, and SOC values exhibit an increased trend as the carborane core shifts from ortho to meta to para, while an increase in donor strength on the core leads to a decrease in these values. (ii) Moreover, there is a decrease in reorganization energies, absorption wavelengths, ISC, and RISC rates as the carborane switches from ortho to meta to para while witnessing an increase in donor strength. The QM/MM study reveals that para carborane's restricted intramolecular motions improve its solid-state aggregation over ortho carborane and solution phases. Interestingly, carborane triads featuring P-DMB and P-BODIPY acceptor units satisfy the desired criteria for multifunctional TADF sensitizers and hot exciton emitters, respectively.
Moorthy Gnanasekar Narendran, Elayaperumal Vijayakumar, Muniyandi Govinda Raj, Rajaraman Preetha, Joseph John Alphin, Ramalingam Mahaan, Bernaurdshaw Neppolian, and Aruljothy John Bosco
Royal Society of Chemistry (RSC)
An enhanced degradation rate is achieved for the optimized CoTiO3/CaTiO3 (CCO 75 : 25) composite for highly effective photocatalytic carbendazim degradation.
Moorthy Gnanasekar Narendran, Silda Peters, Aruljothy John Bosco, Gopalram Keerthiga, Bernaurdshaw Neppolian, Sakkarapalayam Murugesan Senthil Kumar, and Terence Xiaoteng Liu
Wiley
The global environmental and energy challenges necessitate the development of multifunctional materials that can address both pollutant removal and solar fuel production. In this groundbreaking study, the utilization of the Mo2AlB2 transition‐metal aluminum boron (MAB) phase is introduced as a cocatalyst in the SrTiO3/Mo2AlB2 nanocomposite, marking the first instance of its application in photocatalytic approaches to combat environmental and energy crises. A nanocomposite of SrTiO3/Mo2AlB2 is prepared by ultrasound‐assisted self‐assembly of SrTiO3 nanocubes (STO) with layered Mo2AlB2. The optimized catalyst denoted as STO@5‐MAB is subjected to comprehensive characterization to evaluate its physiochemical properties. Remarkably, the STO@5‐MAB composite demonstrates exceptional performance in both photocatalytic carbendazim (CBZ) degradation, achieving an impressive degradation of 87.5% and CO2 reduction to ethanol with a rate of 9.96 mmol g−1 h−1 under visible‐light illumination. This outstanding performance can be attributed to the composite's 1) hydrophobicity, 2) enhanced light absorption, and 3) the formation of a Schottky junction at the interface, facilitating efficient charge separation. In conclusion, the SrTiO3/Mo2AlB2 nanocomposite demonstrates immense potential in addressing pressing environmental and energy challenges through photocatalytic CBZ degradation and CO2 reduction to ethanol. In this study, the pivotal role of Mo2AlB2 in developing efficient photocatalysts is underscored for environmental and energy applications.
Ramalingam Mahaan and Aruljothy John Bosco
American Chemical Society (ACS)
The exploration of triplet excitons in thermally activated delayed fluorescence (TADF) and room-temperature phosphorescence (RTP) molecules has become a subject of significant attention and interest in recent studies. This study employed density functional theory (DFT) and time-dependent DFT theoretical methods to delve into the intricate relationship between the molecular structure and properties of molecules designed with the oxidation of sulfur atoms (S, SO, and SO2) in benzothiazinophenothiazine (BTP) core units. The calculations revealed that as the oxidation state of the sulfur atom increased, the BTP derivatives exhibited elevated ionization potentials (IPs), electron affinities (EAs), and triplet energies (ET), accompanied by reduced reorganization energies (λ), singlet energies (ES), and a S1-T1 energy gap (ΔEST). Additionally, the decrease in the exchange energy prompts a shift in the excited-state properties of molecules, transitioning them from hybridized local and charge transfer (HLCT) to charge transfer (CT) in the S1 state while maintaining their HLCT character in the T1 state. The sulfur oxidation process systematically decreases spin-orbit coupling magnitudes in the S1-T1 and T1-S0 pathways while increasing the KRISC rate, signifying a reduced propensity for phosphorescence radiative decay in oxidized molecules. Thorough investigations have explored the screening effect and orbital mixing of lone pair electrons in sulfur atoms, satisfying the desired criteria for a multifunctional RTP, TADF emitter and sensitizer.
Muniyandi Govinda raj, Elayaperumal Vijayakumar, Rajaraman Preetha, Moorthy Gnanasekar Narendran, G Abigail Jennifer, Elumalai Varathan, Bernaurdshaw Neppolian, Vatti Kondala Ganesh, and Aruljothy John Bosco
Elsevier BV
Rajaraman Preetha, Muniyandi Govinda raj, Elayaperumal Vijayakumar, Moorthy Gnanasekar Narendran, Elumalai Varathan, Bernaurdshaw Neppolian, Ubagaram Jeyapaul, and Aruljothy John Bosco
Elsevier BV
Elayaperumal Vijayakumar, Muniyandi Govinda Raj, Moorthy Gnanasekar Narendran, Rajaraman Preetha, Ramasamy Mohankumar, Bernaurdshaw Neppolian, and Aruljothy John Bosco
American Chemical Society (ACS)
Photocatalytic degradation is a sustainable technique for reducing the environmental hazards created by the overuse of antibiotics in the food and pharmaceutical industries. Herein, a layer of MoS2/g-C3N4 nanocomposite is introduced to zirconium oxide (ZrO2) nanoparticles to form a “particle-embedded-layered” structure. Thus, a narrow band gap (2.8 eV) starts developing, deliberated as a core photodegradation component. Under optimization, a high photocatalytic activity of 20 mg/L TC at pH 3 with ZrO2@MoS2/g-C3N4 nanocomposite was achieved with 94.8% photocatalytic degradation in 90 min. A photocatalytic degradation rate constant of 0.0230 min–1 is determined, which is 2.3 times greater than the rate constant for bare ZrO2 NPs. The superior photocatalytic activity of ZrO2@MoS2/g-C3N4 is due to the dual charge-transfer channel between the MoS2/g-C3N4 and ZrO2 nanoparticles, which promotes the formation of photogenerated e–/h+ pairs. Charge recombination produces many free electron–hole pairs, which aid photocatalyst reactions by producing superoxide and hydroxyl radicals via electron–hole pair generation. The possible mechanistic routes for TC were investigated in-depth, as pointed out by the liquid chromatography–mass spectrometry (LC–MS) investigation. Overall, this work shows that photocatalysis is a feasible sorbent approach for environmental antibiotic wastewater treatment.
Elayaperumal Vijayakumar, Muniyandi Govinda raj, Bernaurdshaw Neppolian, Sandeep Kumar Lakhera, and Aruljothy John Bosco
Elsevier BV
P. Srinivasan, A. John Bosco, R. Kalaivizhi, J. Arockia Selvi, and P. Sivakumar
Elsevier BV
J. Vidya, A. John Bosco, K. Haribaaskar, and P. Balamurugan
Elsevier BV
M. Balaganesh, S. Lawrence, C. Christopher, A. John Bosco, K. Kulangiappar, and K. Joseph Santhana Raj
Elsevier BV