Search Results - "Narayan, Som"
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Size-Dependent Fullerenes for Enhanced Interaction of l‑Leucine: A Combined DFT and MD Simulations Approach
Published in Langmuir (09-07-2024)“…Fullerene-based biosensors have received great attention due to their unique electronic properties that allow them to transduce electrical signals by accepting…”
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2
Utilization of doped GQDs for ultrasensitive detection of catastrophic melamine: A new SERS platform
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (05-01-2020)“…The detection and filtration of melamine in food products has become an emergence due to its harmful effect on humans. In present work, we have investigated…”
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A quantum mechanical prediction of C24 fullerene as a DNA nucleobase biosensor
Published in Diamond and related materials (01-11-2022)“…We aim to study the interaction of different nucleobases (adenine (A), thymine (T), guanine (G), cytosine (C) and uracil (U)) with the C24 fullerene (D6d…”
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4
Chitosan supported silver nanostructures as surface-enhanced Raman scattering sensor: Spectroscopic and density functional theory insights
Published in International journal of biological macromolecules (31-12-2023)“…In this work, nanostructures comprising silver nanoparticles supported on a wrinkled chitosan matrix (Ag@Ch) were successfully synthesized by a simple aging…”
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Remarkable enhancement of the adsorption and diffusion performance of alkali ions in two-dimensional (2D) transition metal oxide monolayers via Ru-doping
Published in Scientific reports (22-02-2024)“…Transition metal oxides (TMO) are the preferred materials for metal ion battery cathodes because of their high redox potentials and good metal-ion…”
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Two-dimensional CsPbI3/CsPbBr3 vertical heterostructure: a potential photovoltaic absorber
Published in Scientific reports (06-12-2023)“…First-principles methods have been employed here to calculate structural, electronic and optical properties of CsPbI 3 and CsPbBr 3 , in monolayer and…”
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Type-II GeAs/GaSe heterostructure as suitable candidate for solar power conversion efficiency
Published in Solar energy (15-07-2021)“…•Thorough study of 2D GeAs and GaSe with ML, BL and HS configurations has been done.•The imposed strain induces an indirect-direct bandgap transition in the…”
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Role of CuAlO2 as an absorber layer for solar energy converter
Published in Solar energy (15-11-2019)“…[Display omitted] •Delafossite CuAlO2 is examined for tandem solar cell applications.•The PDC together with PHDOS of CuAlO2 depict its dynamical stability.•The…”
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Investigation of Topological and Catalytic Properties of Gold Iodide Monolayer: A Density Functional Theory Study
Published in Physica status solidi. PSS-RRL. Rapid research letters (01-05-2022)“…Insulating bulk and conducting edge states makes 2D topological insulators (TI) a candidate quantum material with varied applications. 2D binary monolayers…”
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10
Strain and layer modulated electronic and optical properties of low dimensional perovskite methylammonium lead iodide: Implications to solar cells
Published in Solar energy (01-10-2018)“…[Display omitted] •Solar cell parameters are calculated for Methylammonium lead iodide (MAPI).•The bandgap of MAPI is dimension dependent and is highest for…”
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Humidity Sensor Based on Two-Dimensional SnSe2/MWCNT Nanohybrids for the Online Monitoring of Human Respiration and a Touchless Positioning Interface
Published in ACS sustainable chemistry & engineering (24-08-2020)“…Herein, we report the significantly enhanced humidity responsiveness of resistive devices based on two-dimensional SnSe2/MWCNT nanohybrids. The multifunctional…”
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12
Magnetic behavior study of samarium nitride using density functional theory
Published in Journal of magnetism and magnetic materials (15-02-2018)“…In this work, the state-of-art density functional theory is employed to study the structural, electronic and magnetic properties of samarium nitride (SmN). We…”
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13
Zeolite-Y entrapped metallo-pyrazolone complexes as heterogeneous catalysts: Synthesis, catalytic aptitude and computational investigation
Published in Microporous and mesoporous materials (01-05-2018)“…Transition metal [M = VO(IV) and/or Co(II)] complexes with Schiff base ligand…”
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14
Enhancing the potency of surface hydroxyl groups of graphene oxide for selective oxidation of benzyl alcohol
Published in Diamond and related materials (01-11-2018)“…A chemo-selective oxidation of benzyl alcohol (BzA) to benzaldehyde (BzH) was built up using transition metal immobilized amino functionalized graphene oxide…”
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Enhanced optoelectronics performances of multilayer Sb0.1Mo0.9Se2/SnSe2 heterostructure
Published in Journal of materials science. Materials in electronics (01-12-2021)“…In the present investigation, Sb 0.1 Mo 0.9 Se 2 single crystals belonging to semiconductor-layered transition metal di-chalcogenides (SLTMDCs) are grown by…”
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16
Cutting-Edge PCN-ZnO Nanocomposites with Experimental and DFT Insights into Enhanced Hydrogen Evolution Reaction
Published in ACS applied energy materials (28-10-2024)“…Polymeric carbon nitride (PCN) and PCN-ZnO nanocomposites are promising candidates for catalysis, particularly for hydrogen evolution reactions (HER). However,…”
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17
Optical Switching Device Based on a Crystalline SnSe2 Photodetector in Diverse Conditions
Published in ACS applied electronic materials (23-11-2021)“…Specifically for the optoelectronics field, it is always a provocative task for researchers to fabricate a device that can endure diverse extreme conditions…”
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18
Tailoring the Electronic and Magnetic Properties of Peculiar Triplet Ground State Polybenzoid “Triangulene”
Published in ChemistrySelect (Weinheim) (28-02-2018)“…In the present work we have studied the structural and electronic properties of recently synthesized elusive free standing triangulene using density functional…”
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Growth and application of Sb0.5Mo0.5Se2 ternary alloy as photodetector
Published in Materials letters. X (01-06-2019)“…Presently, ternary alloy engineering holds ability in promoting high performance photo detecting devices. In the present investigation, we have employed direct…”
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Hydrogen evolution reaction of metal di-chalcogenides: ZrS2, ZrSe2 and Janus ZrSSe
Published in International journal of hydrogen energy (07-09-2020)“…Transition metal di-chalcogenides with stoichiometry MX2 (M: Mo, V, W, Pt and X: S, Se) are considered as one of the non-precious and effective catalysts for…”
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