Sunil Kumar
@iitmandi.ac.in
Senior Project Scientist
Indian Institute of Technology Mandi
RESEARCH INTERESTS
Photocatalysis, OLEDs, DSSCs, Organic materials, organic synthesis.
Scopus Publications
Scholar Citations
Scholar h-index
Scholar i10-index
Scopus Publications
Raman Devi, Vinay Kumar, Sunil Kumar, Mamta Bulla, Anushree Jatrana, Renu Rani, Ajay Kumar Mishra, and Paul Singh
Springer Science and Business Media LLC
Krishan Kumar, Anirban Karmakar, Feng-Rong Chen, Jwo-Huei Jou, Subrata Ghosh, Subrata Banik, and Sunil Kumar
Royal Society of Chemistry (RSC)
Donor–acceptor-based hole transport materials (HTMs) built on a pyridine-core are demonstrated. Single crystal analysis and theoretical simulations have been performed to assess the potential of the developed materials.
Raman Devi, Vinay Kumar, Sunil Kumar, Mamta Bulla, Shruti Sharma, and Ashutosh Sharma
MDPI AG
MnO2 is the most favorable material in power storage due to its technological significance and potential applications in pseudocapacitance (due to various oxidative states allowing efficient charge transfer to meet energy demands), where its properties are considerably influenced by its structure and surface morphology. In the present study, a facile hydrothermal route was used to produce different phases of MnO2 (α, β, and γ) with different morphologies. The electrochemical performance of the synthesized phases was studied in aqueous sodium sulfate as an electrolyte. X-ray diffraction, UV–Vis spectroscopy, and Fourier-transform infrared spectroscopy were used to characterize the synthesized material. The surface morphology and topography were examined using field-emission scanning electron microscopy. The direct band gap of α-, β-, and γ-MnO2 was found to be 1.86 eV, 1.08 eV, and 1.68 eV, lying in the semiconducting range, further enhancing the electrochemical performance. It was found that α-MnO2 had a maximum specific capacitance of 138 F/g at 1 A/g, and the symmetric device fabricated using α-MnO2 had a specific capacitance of 86 F/g at 1 A/g.
Shikha Kamboj, Samridhi Thakral, Sunil Kumar, and Vikramjeet Singh
Wiley
In the present study, a series of 3‐hydroxy‐N‐(2‐(substituted phenyl)‐4‐oxothiazolidin‐3‐yl)‐2‐napthamide derivatives were synthesized, characterized and evaluated for theirin vitroactivity, i. e., antimicrobial, antioxidant and anti‐inflammatory. The target compounds were synthesized by condensation reaction of 3‐hydroxy‐2‐naphthoic acid hydrazide with substituted benzaldehydes which were subjected to cyclization reaction with thioglycolic acid and ZnCl2 to get target compounds. The synthesized 3‐hydroxy‐N‐(2‐(substituted phenyl)‐4‐oxothiazolidin‐3‐yl)‐2‐napthamide derivatives were examined for their antimicrobial activity and 3‐hydroxy‐N‐(4‐oxo‐2‐(3,4,5‐trimethoxyphenyl)thiazolidin‐3‐yl)‐2‐naphthamide (S20) exhibited the highest antimicrobial potential. The N′‐(2,3‐dichlorobenzylidene)‐3‐hydroxy‐2‐naphthohydrazide (S5) displayed good antifungal potential against Rhizopus oryzae, whereas N′‐(2,3‐dichlorobenzylidene)‐3‐hydroxy‐2‐naphthohydrazide (S20) showed the highest antioxidant potential and N‐(2‐(2,6‐dichlorophenyl)‐4‐oxothiazolidin‐3‐yl)‐3‐hydroxy‐2‐naphthamide (S16) displayed the highest anti‐inflammatory activity. The results of molecular docking studies revealed that existence of hydrogen bonding and hydrophobic interactions with their respective proteins. In silico ADMET studies were carried out by Molinspiration, Pre‐ADMET and OSIRIS property explorer to predict the pharmacokinetic behaviour of synthesized 3‐hydroxy‐N‐(2‐(substituted phenyl)‐4‐oxothiazolidin‐3‐yl)‐2‐napthamide derivatives.
Diksha Thakur, Mangey Ram Nagar, Sunil Kumar, Shahnawaz, Anju Tomar, Anirban Karmakar, Subrata Banik, Jwo‐Huei Jou, and Subrata Ghosh
Wiley
Considering the difficulties associated with the traditional 'trial and error' approach for a complete analysis of a giant molecular space, we took the aid of computational pathway (DFT) in screening a large space search of 780 (12×13×5) molecules to search for a host for the blue emitter. The selection process was completed in three Tiers with the conditions of highest theoretical triplet energy (>2.81 eV), aligned HOMO/LUMO levels w.r.t blue dopant (FIrpic), and position of substituents to meet the optimal requirements as host materials. Tier 1 screened twelve different imidazole heterocycle derivatives as base space groups which resulted in the selection of 4,5-diphenyl-1H-imidazole. Tier 2 process converged the search to mCN-CZ having the highest triplet energy and appropriate HOMO/LUMO level relative to FIrpic and ETL. Further, the carbazole of mCN-CZ was replaced with different aromatic hydrocarbons to find the other best compound in terms of triplet energy and HOMO/LUMO. Tier 3 resulted in another promising candidate (mCN-FL) as possible host materials. The band alignment with guest predicted mCN-FL and mCN-CZ to have optimal device performances compared to CZ-CZ and the experimentally observed device performance was in accordance with virtual screening results when TAPC was utilized as the hole transporter. The device results of mCN-CZ and mCN-FL were better than the reference host TCTA. The obtained results thus proved that a virtual screening process will be a useful tool for synthetic chemists in designing task-specific materials.
Santu Nandi, Lalit Khillare, Sunil Kumar, Mohamad G. Moinuddin, Manvendra Chauhan, Sumit Choudhary, Satinder K. Sharma, Subrata Ghosh, and Kenneth E. Gonsalves
American Chemical Society (ACS)
Raman Devi, Vinay Kumar, Sunil Kumar, Avnish Kumar Sisodiya, Ajay Kumar Mishra, Anushree Jatrana, Ashwani Kumar, and Paul Singh
Elsevier BV
Neha Sharma, Sunil Kumar, Gananath D. Thakre, and Anjan Ray
MDPI AG
The present work explored the use of fatty acid ‘Triangle ester’ molecules (Epoxidized Ester (EE), and Thiirane Ester (TE)) as antifriction and antiwear additives at varying levels for Group I and Group II mineral base oils using the standard ASTMD-4172B four-ball test. Relative to neat base oil, EE blends showed improved antifriction by ~61% and ~42% and antiwear properties by ~32% and ~41% in Group I and Group II base oils, respectively, while the TE blends showed friction reduction by ~65% and ~40% and wear reduction by ~93% and ~50% relative to the same neat base stock. Time evolution of the ‘Triangle ester’ molecules and their blends with mineral oil (modeled as hexadecane) w.r.t. conformational changes, adsorption energy, intermolecular energy, and effect of the applied stress were estimated theoretically using MD simulations. Further, optimized levels of these additives were explored for their effectiveness as a blending component for commercial engine oil (CEO) and could reduce the friction and wear of CEO by ~50% and ~30%, respectively.
Krishan Kumar, Kiran Kishore Kesavan, Sunil Kumar, Subrata Banik, Jayachandran Jayakumar, Liang Yu Hong, Lin Yu Hung, Mangey Ram Nagar, Jwo-Huei Jou, and Subrata Ghosh
Elsevier BV
Jitendra Kumar, Gauri Shankar, Sunil Kumar, Jobin Thomas, Neha Singh, Saripella Srikrishna, Jitendra Satija, Sairam Krishnamurthy, Gyan Modi, and Sunil Kumar Mishra
Springer Science and Business Media LLC
Neha Sharma, Sunil Kumar, G. D. Thakre, and Anjan Ray
Informa UK Limited
Abstract The surface free energy (SFE) of engineering substrates and the surface tension (ST) of lubricants are known to influence wetting behavior at the interface of the mating mechanical components. The influence of cyclic moieties and heteroatoms in modulating wetting behavior and consequent tribological properties like friction and wear is less well elucidated. Continuing our exploration of “triangle esters” distinguished by the introduction of three-membered heteroatom rings in otherwise commonly used lubricant structures, we demonstrate that friction and wear properties for each ester over a set four different metallic engineering substrates—aluminum, brass, phosphor bronze, and stainless steel—under low load conditions can be effectively correlated with surface properties for the coefficient of friction, and with both surface properties and substrate hardness for wear parameters. The experimentally determined regression equations are used to predict these properties for a fifth substrate, gun metal. The difference in polarity fraction between the substrate and the lubricant is found to have a surprisingly significant influence on wear properties.
Sunil Kumar and Sandeep Jain
A and V Publications
Any damage and bad stimulus causes pain and inflammation. The compound used for pain is known as analgesic and for inflammation is known as anti-inflammatory. The title compounds were evaluated for analgesic activity using Tail-Flick method and anti-inflammatory activity using Carrgenan Induced Rat Paw Edema. Diclofenac Sodium used as standard drug. The chloro, fluro and nitro containg derivatives showed best activity as compared to methyl, methoxy and hydroxy derivatives.
Bhawna, Ashwani Kumar, Meenakshi Bhatia, Archana Kapoor, Parvin Kumar, and Sunil Kumar
Elsevier BV
Santu Nandi, Lalit Khillare, Mohamad G. Moinuddin, Sunil Kumar, Manvendra Chauhan, Satinder K. Sharma, Subrata Ghosh, and Kenneth E. Gonsalves
American Chemical Society (ACS)
Sunil Kumar, Venugopala Rao Battula, Neha Sharma, Soumadri Samanta, Bhawna Rawat, and Kamalakannan Kailasam
Royal Society of Chemistry (RSC)
Carbon-free solar fuel production driven by artificial photosynthesis over heptazine–porphyrin-based polymeric network as photocatalyst.
Khyati Girdhar, Shilpa Thakur, Pankaj Gaur, Abhinav Choubey, Surbhi Dogra, Budheswar Dehury, Sunil Kumar, Bidisha Biswas, Durgesh Kumar Dwivedi, Subrata Ghosh,et al.
Elsevier BV
Nakka Nagaraju, Dushyant Kushavah, Sunil Kumar, Rajeev Ray, Diksha Gambhir, Subrata Ghosh, and Suman Kalyan Pal
Royal Society of Chemistry (RSC)
Spectroscopic experiments and theoretical calculations are combined to study the effect of the position of alkyne functionality on the photophysical and electron donating behaviour of structurally isomeric molecular dyes.
Sunil Kumar, Vinay Kumar, Raman Devi, Avnish Kumar Sisodia, Anushree Jatrana, Raj Bahadur Singh, Rita Dahiya, and Ajay Kumar Mishra
Hindawi Limited
Molybdenum disulfide (MoS2), the second most thoroughly investigated two-dimensional material after graphene, has attracted considerable interest in energy storage applications owing to its exceptional qualities, including its unique crystal structure, low electronegativity, and high specific capacity. In this study, we showed that a simple ball-milling procedure causes significant improvement in the capacitive properties of the bulk MoS2 (BL-MoS2). We characterized the material before and after the milling process using X-ray diffraction (XRD) and a BET surface area analyzer to find the material’s structural, crystalline features, and surface area, respectively. We prepared electrodes of BL-MoS2 and ball-milled MoS2 (BM-MoS2) for electrochemical investigation. The charge storage characteristics were examined using cyclic voltammetry (CV), galvanostatic charge-discharge (GCD), and electrochemical impedance spectroscopy (EIS). The BM-MoS2 and BL-MoS2 have a specific capacitance of 114 F/g and 96 F/g, respectively.
Raman Devi, Vinay Kumar, Sunil Kumar, Anushree Jatrana, Anant Agrawal, and Paul Singh
The Electrochemical Society
Burning agricultural waste has become a serious environmental concern, creating health problems and contributing to global warming. The Indian government has sought to address this issue through a variety of policies and initiatives aimed at promoting sustainable management practices, such as transforming agro-waste into electricity. Biochar is a carbon-rich substance made from biomass that has been pyrolysied in low-oxygen environment. This article addresses the opportunities and advantages of using new technologies to convert agro-waste into biochar based functional materials with their applications in electrochemical supercapacitor. We have established an electrode on graphite sheet using biochar as an active material and investigated its electrochemical behavior using cyclic voltammetry and galvanostatic charge-discharge. This strategy will help to overcome the challenges of safe trash recycling as well as the usage of fossil fuels.
Diksha Gambhir, Sunil Kumar, and Rik Rani Koner
Royal Society of Chemistry (RSC)
Visual tools for enantiomeric recognition.
Nidhi Dhama, Sucheta, Aadesh Kumar, Vikrant Verma, and Sunil Kumar
Asian Journal of Chemistry
Piracetam is generally utilized as a nootropic drug, which is normally used in the treatment of CNS disorders. Piracetam is a cyclic compound and a derivative of γ-aminobutyric acid and improves learning, memory, brain metabolism, and ability. This drug belongs to the racetams group with the chemical name 2-oxo-1-pyrrolidine acetamide. The emphasis of this review article is to highlight different biological activities associated with piracetam and also some of its synthetic methodologies. Promising effects have been achieved in the management and treatment of several diseases for example alcoholism, Raynaud’s phenomenon, deep vein thrombosis and brain injury.
Neha Sharma, Bharat Ugale, Sunil Kumar, and Kamalakannan Kailasam
Frontiers Media SA
The capture and catalytic conversion of CO2 into value-added chemicals is a promising and sustainable approach to tackle the global warming and energy crisis. The nitrogen-rich porous organic polymers are excellent materials for CO2 capture and separation. Herein, we present a nitrogen-rich heptazine-based microporous polymer for the cycloaddition reaction of CO2 with epoxides in the absence of metals and solvents. HMP-TAPA, being rich in the nitrogen site, showed a high CO2 uptake of 106.7 mg/g with an IAST selectivity of 30.79 toward CO2 over N2. Furthermore, HMP-TAPA showed high chemical and water stability without loss of any structural integrity. Besides CO2 sorption, the catalytic activity of HMP-TAPA was checked for the cycloaddition of CO2 and terminal epoxides, resulting in cyclic carbonate with high conversion (98%). They showed remarkable recyclability up to 5 cycles without loss of activity. Overall, this study represents a rare demonstration of the rational design of POPs (HMP-TAPA) for multiple applications.
Sunil Kumar, Venugopala Rao Battula, and Kamalakannan Kailasam
Elsevier BV