Null Lagrangians in Schwarzian mechanics

Authors: Majhi, Pratik, Panja, Madan Mohan, Sarkar, Pranab, Talukdar, Benoy

Subject Terms: Mathematical Physics, 49.xxx, I.1

Access URL: http://arxiv.org/abs/2406.17560

Inverse variational problem for equations in the Riccati chain

Authors: Sarkar, Pranab, Majhi, Pratik, Panja, Madan Mohan, Talukdar, Benoy

Subject Terms: Mathematical Physics, 49.xxx, I.1

Access URL: http://arxiv.org/abs/2406.17529

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Photoinduced conductance and carrier switching in homoannulene ester derivatives: A theoretical exploration

Authors: Ghosh, Samidh, Roy, Prodyut, Pramanik, Anup, Sarkar, Pranab

Source: In Computational and Theoretical Chemistry March 2024 1233

Physical insights into the ultralow lattice thermal conductivity and high thermoelectric performance of bulk LiMTe2 (M = Al, Ga)Electronic supplementary information (ESI) available: Convergence of κl, AIMD simulation at 800 K, phonon group velocities along the q-path, three phonon phase spaces at 800 K, cumulative lattice thermal conductivity at 800 K, charge carrier scattering rates at 300 K and 800 K, electronic band structure using the PBE functional including spin–orbit coupling. See DOI: https://doi.org/10.1039/d3tc02314a

Authors: Mandal, Sampad, Sarkar, Pranab

Source: Journal of materials chemistry.C. 11(40):13691-13706

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100196469407.0x000001&indx=1&recIds=ETOCvdc_100196469407.0x000001

Single B-vacancy enriched α1-borophene sheet: an efficient metal-free electrocatalyst for CO2 reductionElectronic supplementary information (ESI) available: ZPE and TS at T = 298.15 K for different adsorbed intermediates for C1- and C2-reduction of CO2 over the α1−t1-borophene surface; AIMD simulation plots of α1−t1-borophene run at different temperatures; electronic total density of states plot of α1−t1-borophene calculated from the HSE06 level of theory; relative free energy diagram for conversion of CO2 into C1-products (HCOOH, CH3OH and CH4) via formation of the HCOO intermediate; electronic structures of intermediates for conversion of adsorbed CO2 leading to C1- and C2-products. See DOI: https://doi.org/10.1039/d3cp01866k

Authors: Roy, Prodyut, Ghoshal, Sourav, Pramanik, Anup, Sarkar, Pranab

Source: Physical chemistry chemical physics. 25(36):25018-25028

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100193364531.0x000001&indx=1&recIds=ETOCvdc_100193364531.0x000001

Endoplasmic reticulum-targeted fluorescent probes for metal-free tracking of carbon monoxide in living cells

Authors: Sarkar, Arnab, Hansda, Samaresh, Dutta, Tiasha, Ghoshal, Sourav, Mukhopadhyay, Sujay, Sarkar, Pranab, Mandal, Sushil Kumar, Saha, Nimai Chandra, Chattopadhyay, Pabitra, Dhara, Koushik

Source: In Sensors and Actuators: B. Chemical 15 October 2023 393

Hot carrier relaxation dynamics of an aza-covalent organic framework during photoexcitation: An insight from ab initio quantum dynamics.

Authors: Ghosh, Atish, Das, Priya, Kumar, Subhash, Sarkar, Pranab

Source: Journal of Chemical Physics; 4/28/2024, Vol. 160 Issue 16, p1-8, 8p

Subject Terms: HOT carriers, QUANTUM theory, ELECTRON-phonon interactions, ELECTRON-hole recombination, PHOTOEXCITATION

Organic-inorganic FAPbBr3 perovskite based flexible optoelectronic memory device for light-induced multi level resistive switching application

Authors: Siddik, Abubakkar, Haldar, Prabir Kumar, Das, Ujjal, Roy, Asim, Sarkar, Pranab Kumar

Source: In Materials Chemistry and Physics 1 March 2023 297

Resistive Switching Properties in Copper Oxide–Graphene Oxide Nanocomposite-Based Devices for Flexible Electronic Applications.

Authors: Ghosh, Nikita¹, Siddik, Abubakkar¹, Sarkar, Pranab Kumar², Haldar, Prabir Kumar¹, prabirkrhaldar@gmail.com

Source: Journal of Electronic Materials; Jan2024, Vol. 53 Issue 1, p432-440, 9p

Ru/Rh catalyzed selective hydrogenation of CO2 to formic acid: a first principles microkinetics analysisElectronic supplementary information (ESI) available: Brief overview of microkinetics modeling, relative energy of various unsupported clusters at different spin states, list of vibrational frequencies, ZPE and TS values of different intermediates and transition states on supported clusters, ratio of the partition functions of the transition state to the initial state, optimized geometries of bare and CO2 adsorbed unsupported clusters, comparative energy diagrams of HCOOH formation through carboxyl (COOH*) and formate (HCOO*) intermediates on selected Rux/Rhx clusters, schematic presentation of CO2 hydrogenation pathways on unsupported clusters, B3LYP(D3)/def2-TZVP predicted barrier heights, possible adsorption configurations of supported dimers, AIMD plot, CDD plots, schematic energy profiles of the CO2 dissociation pathway and microkinetics results. See DOI: https://doi.org/10.1039/d2cy00798c

Authors: Ghoshal, Sourav, Roy, Prodyut, Pramanik, Anup, Sarkar, Pranab

Source: Catalysis science & technology. 12(23):7219-7232

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100166395190.0x000001&indx=1&recIds=ETOCvdc_100166395190.0x000001

Theoretical investigation of a tetrazine based covalent organic framework as a promising anode material for sodium/calcium ion batteriesElectronic supplementary information (ESI) available. See DOI: https://doi.org/10.1039/d2cp02852b

Authors: Das, Priya, Ball, Biswajit, Sarkar, Pranab

Source: Physical chemistry chemical physics. 24(36):21729-21739

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100165935274.0x000001&indx=1&recIds=ETOCvdc_100165935274.0x000001

Solution-processed light-induced multilevel non-volatile wearable memory device based on CsPb2Br5 perovskiteElectronic supplementary information (ESI) available. See DOI: 10.1039/d1dt03699h

Authors: Paul, Tufan, Sarkar, Pranab Kumar, Maiti, Soumen, Sahoo, Aditi, Chattopadhyay, Kalyan Kumar

Source: Dalton transactions. 51(10):3864-3874

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100144273648.0x000001&indx=1&recIds=ETOCvdc_100144273648.0x000001

2D lead free Ruddlesden-Popper phase perovskites as efficient photovoltaic materials: A first-principles investigation

Authors: Mandal, Sampad, Khan, Basir Ahamed, Sarkar, Pranab

Source: In Computational Materials Science August 2022 211

The role of defect-modulated HKUST-1 MOF nodes in non-oxidative ethanol dehydrogenation: an observed phenomenon of catalyst transfiguration.

Authors: Ganai, Anjali¹ (AUTHOR), Sarkar, Pranab¹ (AUTHOR) pranab.sarkar@visva-bharati.ac.in

Source: Dalton Transactions: An International Journal of Inorganic Chemistry. 3/21/2025, Vol. 54 Issue 11, p4599-4607. 9p.

Theoretical investigation of a C2N monolayer as a bifunctional electrocatalyst for rechargeable non-aqueous Li–air batteries.

Authors: Das, Priya, Ghosh, Atish, Goswami, Biplab, Sarkar, Pranab

Source: Journal of Materials Chemistry A; 3/7/2025, Vol. 13 Issue 9, p6376-6384, 9p

Accelerating Molecular Dynamics with a Graph Neural Network: A Scalable Approach through E(q)C-GNN.

Authors: Maji, Debasis, Ghosh, Atish, Barman, Debaditya, Sarkar, Pranab

Source: Journal of Physical Chemistry Letters; 3/6/2025, Vol. 16 Issue 9, p2254-2264, 11p

Understanding asymmetric hydrogenation of alkenes catalyzed by the first-row transition metal Fe: a first-principles exploration.

Authors: Mahato, Akhilesh, Mahato, Anupama, Ghoshal, Sourav, Pramanik, Anup, Sarkar, Pranab

Source: Physical Chemistry Chemical Physics (PCCP); 1/14/2025, Vol. 27 Issue 2, p1100-1111, 12p

First-principles calculations to investigate electronic structure and transport properties of CrC monolayers: A new horizon for spintronic application

Authors: Ghosh, Atish, Kar, Moumita, Majumder, Chiranjib, Sarkar, Pranab

Source: In Materials Science & Engineering B October 2021 272

Photo-redox coupled Co-pincer complexes for efficient decarbonylation of aryl carbonyls: A quantum chemical investigation

Authors: Chowdhury, Animesh, Biswas, Santu, Ghoshal, Sourav, Pramanik, Anup, Sarkar, Pranab ^*

Source: In Molecular Catalysis May 2021 507