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Articles by Ayan Datta
Design Principles for Negative Thermal Expansion in Two-Dimensional Materials Click to copy article link Article link copied!
Abstract Click to copy section linkSection link copied! Conspectus Negative thermal expansion (NTE) is a counterintuitive property in metamaterials that can be observed upon excitation of certain low-frequency vibrational modes. Conventional materials expand upon heating, showing positive thermal expansion (PTE), whereas NTE materials contract, which is unusual.
Gloster Limited Schedules Board Meeting on May 23, 2026 to Approve FY26 Audited Results and Consider Dividend
ScanXNewsGloster Limited Schedules Board Meeting on May 23, 2026 to Approve FY26 Audited Results and Consider Dividend 1 min read Updated on 16 May 2026, 06:54 PM AI Summary Gloster Limited has intimated stock exchanges of a Board of Directors meeting scheduled for May 23, 2026, under Regulation 29 of SEBI (LODR) Regulations, 2015. The board will consider approval of standalone and consolidated audited financial results for the quarter and financial year ended March 31, 2026.
Prediction of Negative Thermal Expansion in 2D‐Materials by Multistep Machine Learning Using Structural Descriptors
Conflicts of Interest The authors declare no conflicts of interest. Data Availability Statement The data that supports the findings of this study are available in the supplementary material of this article. Supporting Information Filename Description asia70604-sup-0001-SuppMat.docx311.7 KB Supporting File: asia70604-sup-0001-SuppMat.docx. Metrics for classification, Model architectures, Learning curves, Correlation plot of TEC with αmax.
Post-Transition-State Dynamics Induced Product Diversity in the Thermal Rearrangement of Cyclopropenyl Azides
Abstract Click to copy section linkSection link copied! Cyclopropenyl azides (1) are known to undergo three major thermal rearrangements, namely, 3,3-sigmatropic rearrangement to form 1,2,3-triazine (2), allylic arrangement to form the degenerate product (3), and N2 elimination to form azete (4). Previous experiments have reported conflicting product distribution that is contingent upon the nature of the substituents on the cyclopropenyl ring and also the reaction temperature.
Highly stable Self-supported PdO Nanostructure on the Conductive Polyaniline Nanotube towards Extensive Electrochemical Hydrogen Evolution.
Highly stable Self-supported PdO Nanostructure on the Conductive Polyaniline Nanotube towards Extensive Electrochemical Hydrogen Evolution. The quest for sufficiently stable and cost-effective electrocatalyst for the hydrogen evolution reaction (HER) has achieved tremendous interest to mitigate the global energy requirements. The modulation of electrocatalyst/electrolyte interaction is the pivotal step to generate the enhanced HER performances.
Machine Learning Predicts Regioselectivity in Pd-Catalyzed Directing Group-Assisted C-H Activation | Organic Letters
Organic Letters Cite this: Org. Lett. 2025, XXXX, XXX Click to copy citationCitation copied! Learn about these metrics Article Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days. Citations are the number of other articles citing this article, calculated by Crossref and updated daily.
C(sp2)−H Acylation of Benzo[h]quinolines at Room Temperature via Aldehyde Autoxidation and Palladium Catalysis Cooperation
Conflict of Interests The authors declare no conflict of interest. Supporting Information As a service to our authors and readers, this journal provides supporting information supplied by the authors. Such materials are peer reviewed and may be re-organized for online delivery, but are not copy-edited or typeset. Technical support issues arising from supporting information (other than missing files) should be addressed to the authors.
Correlating Negative Thermal Expansion and Thermal Conductivity in Two-dimensional Carbon-based Materials
Correlating Negative Thermal Expansion and Thermal Conductivity in Two-dimensional Carbon-based Materials Negative thermal expansion (NTE) is a fascinating phenomenon where certain materials contract upon heating. The phonon transport properties of two-dimensional carbon-based allotropes are poorly understood in terms of their NTE properties.
Crystals of Organic Acid–Base Complexes Defy the ΔpKa Rule Under Compression
The Journal of Physical Chemistry C Cite this: J. Phys. Chem. C 2024, XXXX, XXX Click to copy citationCitation copied! Learn about these metrics Article Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days. Citations are the number of other articles citing this article, calculated by Crossref and updated daily.
Regioselective Electrochemical Construction of Csp2‐Csp2 Linkage at C5‐C5’ Position of 2‐Oxindoles via an Intermolecular Anodic Dehydrogenative Coupling
Supporting Information As a service to our authors and readers, this journal provides supporting information supplied by the authors. Such materials are peer reviewed and may be re-organized for online delivery, but are not copy-edited or typeset. Technical support issues arising from supporting information (other than missing files) should be addressed to the authors.
Substitutional Control of Non-statistical Dynamics in the Thermal Deazetization of Tetracyclic Azo compounds
Substitutional Control of Non-statistical Dynamics in the Thermal Deazetization of Tetracyclic Azo compounds Dynamical control of reactivity for the deazetization of endo,endo-9,10-diazatetracyclo[3.3.2.02,4.06,8]dec-9-ene (3) is studied using on-the-fly quasi-classical trajectory (QCT) calculations at the density functional theory (DFT). Two degenerate homotropilidenes, 4 and 5 are formed simultaneously from a single transition state (TS).
What is behind Rwanda’s election outcome? Original
The story so far: On July 15, Rwanda held its fourth presidential election since the 1994 Tutsi genocide. Partial results released by Rwanda’s National Electoral Commission (NEC) reveal overwhelming support for President Paul Kagame. With 79% of the votes counted, Kagame has secured over 99% of the votes. Opposition leaders Habineza Frank of the Democratic Green Party and Independent candidate Mpayimana Phillippe secured less than one per cent of the votes each. How did Rwanda politically progress?
A non-B DNA binding peptidomimetic channel alters cellular functions - Nature Communications
Abstract DNA binding transcription factors possess the ability to interact with lipid membranes to construct ion-permeable pathways. Herein, we present a thiazole-based DNA binding peptide mimic TBP2, which forms transmembrane ion channels, impacting cellular ion concentration and consequently stabilizing G-quadruplex DNA structures.
Oriented External Electric Field Controls the Rupture Forces in Mechanophores
Controlling the reactivity of molecules under a mechanical pull has generated significant interest in organic and polymer chemistry. Inducing mechano-lability for otherwise rigid molecules has been possible through structural alterations like adjusting the pulling group, ring strain, and electron density of the scissile bond. In this article, we report that an oriented external electric field (OEEF) can significantly assist in mechanochemical transformations.
Role of Electronegativity on the Elemental Diversity in High-Entropy Alloys
Download Hi-Res ImageDownload to MS-PowerPointCite This:J. Am. Chem. Soc. 2024, 146, 26 RETURN TO ISSUEPREVArticleNEXT R. A. Oshiya School of Chemical Sciences, Indian Association for the Cultivation of Science, 2A and 2B Raja S. C. Mullick Road, Jadavpur, 700032 Kolkata, West Bengal, India , B. Varghese School of Chemical Sciences, Indian Association for the Cultivation of Science, 2A and 2B Raja S. C.
Pressure Induces Six‐fold Coordination for the Lighter Pnictides Phosphorus and Arsenic Triiodide
Supporting Information As a service to our authors and readers, this journal provides supporting information supplied by the authors. Such materials are peer reviewed and may be re-organized for online delivery, but are not copy-edited or typeset. Technical support issues arising from supporting information (other than missing files) should be addressed to the authors.
Correction: Effect of the cyano group on colour-tunability of aryl-substituted buta-1,3-diene based solid-state emissive copolymers
Correction: Effect of the cyano group on colour-tunability of aryl-substituted buta-1,3-diene based solid-state emissive copolymers Correction for ‘Effect of the cyano group on colour-tunability of aryl-substituted buta-1,3-diene based solid-state emissive copolymers’ by Prasanta Pal et al., J. Mater. Chem. C, 2023, 11, 16594–16604, https://doi.org/10.1039/D3TC02999A. This article is Open Access This article has not yet been cited.
Pressure Induced Alteration and Stabilization of Intermolecular Stacking in Square‐planar Osmium tetracarbonyl
Supporting Information As a service to our authors and readers, this journal provides supporting information supplied by the authors. Such materials are peer reviewed and may be re-organized for online delivery, but are not copy-edited or typeset. Technical support issues arising from supporting information (other than missing files) should be addressed to the authors.
Effect of Cyano group in Colour-tunability of Aryl-substituted Buta-1,3-Diene based Solid-state Emissive Copolymers
Effect of Cyano group in Colour-tunability of Aryl-substituted Buta-1,3-Diene based Solid-state Emissive Copolymers Nowadays, colour-tunable solid-state emissive polymers are promising materials because of tremendous applications in optoelectronic field. Owing to molecular aggregation, the emissive property is substantially diminished in the solid state, limiting its use in real technological applications.
Autonomous self-healing organic crystals for nonlinear optics - Nature Communications
Abstract Non-centrosymmetric molecular crystals have a plethora of applications, such as piezoelectric transducers, energy storage and nonlinear optical materials owing to their unique structural order which is absent in other synthetic materials. As most crystals are brittle, their efficiency declines upon prolonged usage due to fatigue or catastrophic failure, limiting their utilities.
Computational Assessment of the Biocompatibility of Two-Dimensional g-C3N3 Toward Lipid Membranes
One of the most recent additions to the family of two-dimensional (2D) materials, graphitic C3N3 (g-C3N3), has been considered a viable contender for biomedical applications, although its potential toxicity remains elusive. We perform all-atom molecular dynamics simulations to decipher the interactions between model lipid membranes and g-C3N3 as a first step toward exploring the cytotoxicity induced at the nanoscale.
Modulation of Delayed Fluorescence Guided by Conformational Effect-Mediated Thermally Enhanced Phosphorescence in Phenothiazines-Quinoline-Cl Conjugates | The Journal of Physical Chemistry B
Download Hi-Res ImageDownload to MS-PowerPointCite This:J. Phys. Chem. B 2023, 127, 45 Terms & Conditions Most electronic Supporting Information files are available without a subscription to ACS Web Editions. Such files may be downloaded by article for research use (if there is a public use license linked to the relevant article, that license may permit other uses).
Modulation of Delayed Fluorescence Guided by Conformational Effect-Mediated Thermally Enhanced Phosphorescence in Phenothiazines-Quinoline-Cl Conjugates | The Journal of Physical Chemistry B
Download Hi-Res ImageDownload to MS-PowerPointCite This:J. Phys. Chem. B 2023, XXXX, XXX Terms & Conditions Most electronic Supporting Information files are available without a subscription to ACS Web Editions. Such files may be downloaded by article for research use (if there is a public use license linked to the relevant article, that license may permit other uses).
Modulation of Delayed Fluorescence Guided by Conformational Effect-Mediated Thermally Enhanced Phosphorescence in Phenothiazines-Quinoline-Cl Conjugates | The Journal of Physical Chemistry B
Download Hi-Res ImageDownload to MS-PowerPointCite This:J. Phys. Chem. B 2023, XXXX, XXX To access the full text, please choose an option below. Get Access To This Article You may be able to access through {InstitutionName}. Please contact your library or account administrator. Already purchased with Guest checkout? Restore Access ACS members enjoy benefits including 50 free articles a year and reduced priced individual subscription. Learn More Forgot ACS ID or Password?
Microwave synthesis of molybdenene from MoS2 - Nature Nanotechnology
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Abstract Dirac materials are characterized by the emergence of massless quasiparticles in their low-energy excitation spectrum that obey the Dirac Hamiltonian. Known examples of Dirac materials are topological insulators, d-wave superconductors, graphene, and Weyl and Dirac semimetals, representing a striking range of fundamental properties with potential disruptive applications. However, none of the Dirac materials identified so far shows metallic character.
By Nishant Kumar Verified, Sumit Chahal, Rajkumar Jana, Sumana Paul, Moumita Mukherjee Verified, Ayan Datta, Rafal E. Dunin-Borkowski, Ilia Valov, Alpana Nayak
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First‐principles Calculations Reveal Frictional Advantage for C2N/C6N6 van der Waals Heterostructures
Abstract Friction at the atomic scale is determined for three different carbon nitride structures namely C2N/C2N, C6N6/C6N6 and C6N6/C2N employing ab-initio density functional theory (DFT). The sliding path along the lowest energy corrugations determines the static frictional forces. Both the homo-layer structures (C2N/C2N and C6N6/C6N6) have higher corrugation energy and correspondingly higher static lateral forces with respect to the hetero-layer structure (C2N/C6N6).
Biaxial Negative Thermal Expansion in Carbon Nets - Graphyne and Derivatives
Biaxial Negative Thermal Expansion in Carbon Nets – Graphyne and Derivatives Abstract Materials that shrink during heating are important for advanced applications. Graphene has shown negative thermal expansion (NTE) up to 1000 K which drives further improvements in different two-dimensional allotropes of carbon to achieve higher performance. In this letter, we have shown very high NTE of Graphynes, which have sp-sp connectivity and are very stable at high temperature.
Remarkable COx tolerance of Ni3+ active species in Ni2O3 catalyst for sustained electrochemical urea oxidation
Remarkable COx tolerance of Ni3+ active species in Ni2O3 catalyst for sustained electrochemical urea oxidation Muhammed Safeer N K, Chandraraj Alex, Rajkumar Jana, Ayan Datta and Neena Susan John Abstract The electrochemical urea oxidation reaction (UOR) provides a cost-effective way of generating hydrogen owing to its low thermodynamic energy barrier. Although UOR is an effective way to generate hydrogen, sustained activity and long-term catalyst usage are retarded by COx poisoning.
Stable Room Temperature Ferroelectricity in Hydrogen-bonded Supramolecular Assemblies of Ambipolar π-Systems
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Stereoelectronic and Dynamical Effects Dictate Nitrogen Inversion during Valence Isomerism in Benzene Imine
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Modular amphiphilic poly(aryl ether)-based supramolecular nanomicelles: An efficient endocytic drug carrier
Modular amphiphilic poly(aryl ether)-based supramolecular nanomicelles: An efficient endocytic drug carrier A rationally designed amphiphilic poly(aryl ether)-based dendrimer self-assembles into nanomicelles and exhibits tunable morphology upon varying the hydrophilic chain length.
Formation of Metallic Polyferrocene Chains under Pressure
The effect of pressure on the structural reorganization of ferrocene, Fc = (C5H5)2Fe, is studied using density functional theory (DFT) calculations assisted by evolutionary crystal structure prediction algorithms based on USPEX code. Pressure brings the individual molecules in close contact, and above 220 GPa, the 18-electron closed-shell molecular unit undergoes polymerization through the formation of quasi-one-dimensional (1D) chains, [(C5H5)2Fe]∞, termed as polyferrocene (p-Fc).
Tuning intermediate adsorption in structurally ordered substituted PdCu3 intermetallic nanoparticles for enhanced ethanol oxidation reaction
Tuning intermediate adsorption in structurally ordered substituted PdCu3 intermetallic nanoparticles for enhanced ethanol oxidation reaction† You have access to this article Please wait while we load your content... Something went wrong. Try again?
Molecular Mechanism for the Self-Supported Synthesis of Graphitic Carbon Nitride from Urea Pyrolysis
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Molecular designs for expanding the limits of ultralong C-C bonds and ultrashort H⋯H non-bonded contacts
Molecular designs for expanding the limits of ultralong C–C bonds and ultrashort H⋯H non-bonded contacts Recent experiments have reported the formation of very long C–C bonds (dC–C > 1.80 Å) and very short H⋯H non-bonded contacts (dH⋯H < 1.5 Å) in several sets of molecules. Both these rare phenomena arise due to specific donor–acceptor interactions and London dispersion interactions respectively.
Paradoxical Design of A Serendipitous Pyrazolate Bridging Mode: A Pragmatic Strategy for Inducing Ineluctable Ferromagnetic Coupling.
Paradoxical Design of A Serendipitous Pyrazolate Bridging Mode: A Pragmatic Strategy for Inducing Ineluctable Ferromagnetic Coupling. Abstract: In this contribution we have carried out a systematic magnetostructural investigation to establish a robust one-to-one correlation between quasi-orthogonal bridging mode of pyrazolate ring and ferromagnetism coupling.
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