Search Results - "Ramasamy, Shankar"

Kinetics and degradation mechanism of atmospheric isoprene (2‐methyl‐1, 3‐butadiene (C5H8)) with chlorine radical and its derivatives—A theoretical study by Subramani, Mohanapriya, Rajamani, Akilan, Shankar, Ramasamy

“…Isoprene (2‐methyl‐1, 3‐butadiene (C5H8)) is one of the most prominent and abundant non‐methane hydrocarbon existing in the lower level of the troposphere. In…”
Get full text

D–A–D Structured Bis-acylhydrazone Exhibiting Aggregation-Induced Emission, Mechanochromic Luminescence, and Al(III) Detection by Santhiya, Kuppusamy, Sen, Shovan K, Natarajan, Ramalingam, Shankar, Ramasamy, Murugesapandian, Balasubramanian

“…A readily accessible D–A–D triad molecule 1 was synthesized through acylhydrazone bond formation using carefully chosen building blocks. The molecule 1…”
Get full text

DFT/TD-DFT study on the electronic and spectroscopic properties of hollow cubic and hollow spherical (ZnO)m quantum dots interacting with CO, NO2 and SO3 molecules by Gopalakrishnan, Sankarasubramanian, Shankar, Ramasamy, Kolandaivel, Ponmalai

“…Hollow spherical (HS) and hollow cubic (HC) (ZnO) m quantum dots (QDs) were constructed and optimized using density functional theory (DFT) method. CO, NO 2…”
Get full text

New pyrazolo-quinoline scaffold as a reversible colorimetric fluorescent probe for selective detection of Zn2+ ions and its imaging in live cells by Kasirajan, Gayathri, Krishnaswamy, Velmurugan, Raju, Nandhakumar, Mahalingam, Malathi, Sadasivam, Mathusalini, Palathurai Subramaniam, Mohan, Ramasamy, Shankar

“…[Display omitted] •Pyrazoline based chemosensor was synthesized that selectively detects zinc ion.•Naked eye color change from colorless to yellow is due to…”
Get full text

Agricultural trade between Malaysia and China: Competitiveness and complementarity by Tao, Zhe, Shankar Ramasamy, Siva, Ying, Fangli

“…The discernment of trade competitiveness and complementarity findings holds crucial implications for policymakers, facilitating the formulation and…”
Get full text

Exploring the electrocatalytic performance of silicene and single atom doped silicene for HER, OER and ORR activity using density functional theory by Arumugam, Deepak, Sivakumar, Jaya Priya, Muralidharan, Akilesh, Ramasamy, Shankar

“…The transition towards hydrogen energy is paramount due to its potential to mitigate environmental pollution caused by fossil fuels. The greener and cleaner…”
Get full text

Adsorption of H2 molecules on B/N-doped defected graphene sheets—a DFT study by Akilan, Rajamani, Vinnarasi, Saravanan, Mohanapriya, Subramani, Shankar, Ramasamy

“…Adsorption of hydrogen molecules on the surface of two-dimensional sheets is extremely challenging due to the non-polar nature of the molecules. Though the…”
Get full text

Interaction of (G4)2 and (X4)2 DNA quadruplexes with Cu+, Ag+ and Au+ metal cations: a quantum chemical calculation on structural, energetic and electronic properties by Saravanan, Vinnarasi, Rajamani, Akilan, Subramaniam, Vijayakumar, Ramasamy, Shankar

“…The present study is focused to cast light on the structural, electronic and energetic properties of isolated (G4) 2 and (X4) 2 DNA quadruplexes with…”
Get full text

Synthesis and X-ray study of dispiro 8-nitroquinolone analogues and their cytotoxic properties against human cervical cancer HeLa cells by Shyamsivappan, Selvaraj, Vivek, Raju, Saravanan, Arjunan, Arasakumar, Thangaraj, Subashini, Gopalan, Suresh, Thangaraj, Shankar, Ramasamy, Mohan, Palathurai Subramaniam

“…A series of unique dispiro analogues containing an oxindole pyrrolidine 8-nitroquinolone hybrid has been obtained through a one-pot three-component 1,3-dipolar…”
Get full text

Modeling of Si–B–N Sheets and Derivatives as a Potential Sorbent Material for the Adsorption of Li+ Ion and CO2 Gas Molecule by Rajamani, Akilan, Saravanan, Vinnarasi, Vijayakumar, Subramaniam, Shankar, Ramasamy

“…In the present exploration, a few Si–B–N derivatives are derived to adsorb Li ions and CO2 gas molecules for the potential application of metal–air batteries…”
Get full text

Hotspots and trends of environmental, social and governance (ESG) research: a bibliometric analysis by Wan, Guochao, Dawod, Ahmad Yahya, Chanaim, Somsak, Ramasamy, Siva Shankar

“…This study examines paper-level metrics in the literature on topics related to environmental, social and governance (ESG) to provide a research agenda for…”
Get full text

Biosorption of Malachite Green from Aqueous Phase by Tamarind Fruit Shells Using FBR by Murugesan, Senthil Rajan, Sivakumar, Vivek, Velusamy, Sampathkumar, Ravindiran, Gokulan, Sundararaj, Premkumar, Maruthasalam, Veerapathran, Thangavel, Ravindaran, Ramasamy, Gowri Shankar, Panneerselvam, Mukesh, Periyasamy, Selvakumar

“…The aim of this research is to remove malachite green (MG) from a created water environment utilising tamarind fruit shell (TFS) and a fixed-bed reactor (FBR)…”
Get full text

Revealing the interfacial phenomenon of metal-hydride formation and spillover effect on C48H16 sheet by platinum metal catalyst (Pt (n=1-4)) for hydrogen storage enhancement by Subramani, Mohanapriya, Arumugam, Deepak, Ramasamy, Shankar

“…Hydrogen is a worldwide green energy carrier, however due its low storage capacity, it has yet to be widely used as an energy carrier. Therefore, the quantum…”
Get full text

Unraveling the potential of transition metals as single atom catalyst in Graphene/WS2 van der Waals heterostructure for enhanced HER performance – A first principles study by Arumugam, Deepak, Subramani, Mohanapriya, Subramani, Divyakaaviri, Ramasamy, Shankar

“…Hydrogen, renowned for its abundance and versatility, stands as a significant green energy alternative, especially when produced through water electrolysis. In…”
Get full text

Unveiling the structure-property relationships of bimetallic nickel molybdenum metal organic framework for pseudocapacitor electrode materials: A combined approach of experimental and theoretical study by Kanthasamy, Sureka, Subramani, Mohanapriya, Ramasamy, Shankar, Thangavelu, Selvaraju

“…[Display omitted] •NiMo MOF electrodes deliver a remarkable 3811 Fg−1 capacitance (at 1 Ag−1)•NiMo MOF device retains 92.79% capacitance after 10,000…”
Get full text

Elucidating the hydrogen adsorption mechanism in bare and TMs (Ni, Pd and Cd) decorated Al12P12, B12P12 and C24 nanocages for hydrogen storage via DFT study by Subramani, Divyakaaviri, Arumugam, Deepak, Muralidharan, Akilesh, Ramasamy, Shankar

“…This density functional theory investigation aims to assess the hydrogen adsorption potential of bare and metal catalysts (Ni, Pd, and Cd) decorated Al12P12,…”
Get full text

Atomic insights into the fluorinated pristine and defected graphene sheets for inducing the electronic and magnetic properties with the aid of scandium metal decoration- Acumen from density functional theory by Subramani, Divyakaaviri, Subramani, Mohanapriya, Muralidharan, Akilesh, Ramasamy, Shankar

“…[Display omitted] •The electronic and magnetic properties of pristine and defected sheets before and after Sc metal decoration are investigated.•The Eg values…”
Get full text

Demystifying Synergistic Multifunctional Electrocatalysis of N-Doped Graphene/WS 2 Heterostructure with Single-Atom Catalysts for Water Splitting and Fuel Cells by Arumugam, Deepak, Subramani, Divyakaaviri, Muralidharan, Akilesh, Ramasamy, Shankar

Get full text

Demystifying Synergistic Multifunctional Electrocatalysis of N-Doped Graphene/WS2 Heterostructure with Single-Atom Catalysts for Water Splitting and Fuel Cells by Arumugam, Deepak, Subramani, Divyakaaviri, Muralidharan, Akilesh, Ramasamy, Shankar

“…As the demand for sustainable energy continues to rise, electrocatalysis has become increasingly prominent in the advancement of clean energy technologies. By…”
Get full text

Probing the influence of defects and Si-doping in graphene sheet as an efficacious carrier for drug delivery system in gas and aqua phases - Combined DFT and classical MD simulation by Arumugam, Deepak, Subramani, Mohanapriya, Durai, Ravichandran, Sambasivam, Anitha, Ramasamy, Shankar

“…In this study, for the bioavailability and distribution of the drug on the tumor cells we have chosen targeted drug delivery system and for the delivery…”
Get full text