Search Results - "Pathak, Biswarup"

High-energy-density dual-ion battery for stationary storage of electricity using concentrated potassium fluorosulfonylimide by Kravchyk, Kostiantyn V., Bhauriyal, Preeti, Piveteau, Laura, Guntlin, Christoph P., Pathak, Biswarup, Kovalenko, Maksym V.

“…Graphite dual-ion batteries represent a potential battery concept for large-scale stationary storage of electricity, especially when constructed free of…”
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B–N@Graphene: Highly Sensitive and Selective Gas Sensor by Choudhuri, Indrani, Patra, Nandini, Mahata, Arup, Ahuja, Rajeev, Pathak, Biswarup

“…We have performed density functional theory (DFT) calculations to study the gas (CO, CO2, NO, and NO2) sensing mechanism of pure and doped (B@, N@, and B–N@)…”
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Individual Identification of Amino Acids on an Atomically Thin Hydrogen Boride System Using Electronic Transport Calculations by Kumawat, Rameshwar L, Jena, Milan Kumar, Pathak, Biswarup

“…Recently synthesized two-dimensional hydrogen boride (HB) with a hexagonal boron network offers excellent opportunities for nanoscale electronic device…”
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Direct vs. indirect pathway for nitrobenzene reduction reaction on a Ni catalyst surface: a density functional study by Mahata, Arup, Rai, Rohit K, Choudhuri, Indrani, Singh, Sanjay K, Pathak, Biswarup

“…Density functional theory (DFT) calculations are performed to understand and address the previous experimental results that showed the reduction of…”
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Recent Trends in Electrode and Electrolyte Design for Aluminum Batteries by Das, Sandeep, Manna, Surya Sekhar, Pathak, Biswarup

“…Due to the drawbacks in commercially known lithium-ion batteries (LIB) such as safety, availability, and cost issues, aluminum batteries are being hotly…”
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Size Evolution Dynamics of Gold Nanoclusters at an Atom-Precision Level: Ligand Exchange, Growth Mechanism, Electrochemical, and Photophysical Properties by Maman, Manju P, Nair, Akhil S, Cheraparambil, Haritha, Pathak, Biswarup, Mandal, Sukhendu

“…Interpretation of size evolution is an essential part of nanocluster transformation processes for unraveling the mechanism at an atom-precision level. Here we…”
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Emergence of Topological insulator and Nodal line semi-metal states in XX′Bi (X = Na, K, Rb, Cs; X′ = Ca, Sr) by Mondal, Chiranjit, Barman, C. K., Kumar, Sourabh, Alam, Aftab, Pathak, Biswarup

“…In this article, we predict the emergence of non-trivial band topology in the family of XX′Bi compounds having P 6 ¯ 2 m (# 189) space group. Using first…”
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Room-Temperature Chemoselective Reduction of Nitro Groups Using Non-noble Metal Nanocatalysts in Water by Rai, Rohit K, Mahata, Arup, Mukhopadhyay, Sushobhan, Gupta, Sampa, Li, Pei-Zhou, Nguyen, Kim T, Zhao, Yanli, Pathak, Biswarup, Singh, Sanjay K

“…Purely aqueous-phase chemoselective reduction of a wide range of aromatic and aliphatic nitro substrates has been performed in the presence of inexpensive Ni-…”
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Integration of Artificial Intelligence and Quantum Transport toward Stereoselective Identification of Carbohydrate Isomers by Mittal, Sneha, Jena, Milan Kumar, Pathak, Biswarup

“…Detection of stereoisomers of carbohydrates with molecular resolution, a challenging goal analysts desire to achieve, is key to the full development of…”
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Chemical Detoxification of Organomercurials by Banerjee, Mainak, Karri, Ramesh, Rawat, Kuber Singh, Muthuvel, Karthick, Pathak, Biswarup, Roy, Gouriprasanna

“…Organomercurials including methylmercury are ubiquitous environmental pollutants and highly toxic to humans. Now it could be shown that N‐methylimidazole based…”
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First principles investigation on the applicability of ruthenium as a potential ORR catalyst by Nandi, Surajit, Nair, Akhil S, Pathak, Biswarup

“…Exploration of new materials for oxygen reduction reaction has long been a major area of research in heterogeneous catalysis. As the currently available oxygen…”
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Synergistic Effect of Bridging Thiolate and Hub Atoms for the Aromaticity Driven Symmetry Breaking in Atomically Precise Gold Nanocluster by Maman, Manju P, Nair, Akhil S, Abdul Hakkim Nazeeja, Asif Mohammed, Pathak, Biswarup, Mandal, Sukhendu

“…The symmetry of atomically precise nanoclusters is influenced by the specific geometry of the kernel and the arrangement of staple motifs. To understanding the…”
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Identification of Intermediate Au22(SR)4(SR′)14 Cluster on Ligand-Induced Transformation of Au25(SR)18 Nanocluster by George, Anu, Sundar, Anusree, Nair, Akhil S, Maman, Manju P, Pathak, Biswarup, Ramanan, Nitya, Mandal, Sukhendu

“…We report the ligand-exchange-induced transformation from an icosahedral Au25(SR)18 cluster (where SR = 2-phenylethanethiol (PET)) to a bitetrahedral…”
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Anion-Doped NaTaO3 for Visible Light Photocatalysis by Wang, Baochang, Kanhere, Pushkar D, Chen, Zhong, Nisar, Jawad, Pathak, Biswarup, Ahuja, Rajeev

“…In this paper, we have employed DFT and HSE06 methods to study the doping effects on the NaTaO3 photocatalyst. N, S, C, and P monodoping and N–N, C–S, P–P, and…”
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Electronic Structure, Optical Properties, and Photocatalytic Activities of LaFeO3–NaTaO3 Solid Solution by Kanhere, Pushkar, Nisar, Jawad, Tang, Yuxin, Pathak, Biswarup, Ahuja, Rajeev, Zheng, Jianwei, Chen, Zhong

“…A solid solution photocatalyst, Na1–x La x Fe1–x Ta x O3 (x up to 0.06), was prepared by the conventional solid-state method. The photophysical properties of…”
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Synthesis of 1-indolyl-3,5,8-substituted γ-carbolines: one-pot solvent-free protocol and biological evaluation by Dudhe, Premansh, Krishnan, Mena Asha, Yadav, Kratika, Roy, Diptendu, Venkatasubbaiah, Krishnan, Pathak, Biswarup, Chelvam, Venkatesh

“…1,5 - Disubstituted indole-2-carboxaldehyde derivatives 1a – h and glycine alkyl esters 2a – c are shown to undergo a novel cascade imination-heterocylization…”
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Computational Screening of First-Row Transition-Metal Based Alloy CatalystsLigand Induced N2 Reduction Reaction Selectivity by Das, Arunendu, Mandal, Shyama Charan, Nair, Akhil S, Pathak, Biswarup

“…Large-scale ammonia production through sustainable strategies from naturally abundant N2 under ambient conditions represents a major challenge from a future…”
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Pt3Ti (Ti19@Pt60)‑Based Cuboctahedral Core–Shell Nanocluster Favors a Direct over Indirect Oxygen Reduction Reaction by Mahata, Arup, Bhauriyal, Preeti, Rawat, Kuber Singh, Pathak, Biswarup

“…Developing a highly efficient catalyst with lower Pt content for the oxygen reduction reaction (ORR) is highly sought for fuel cell applications. The potential…”
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Improvement in the hydrogen desorption from MgH2 upon transition metals doping: A hybrid density functional calculations by Hussain, Tanveer, Maark, Tuhina Adit, Pathak, Biswarup, Ahuja, Rajeev

“…This study deals with the investigations of structural, electronic and thermodynamic properties of MgH2 doped with selected transition metals (TMs) by means of…”
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Recent Advances in Graphene-like 2D Materials for Spintronics Applications by Choudhuri, Indrani, Bhauriyal, Preeti, Pathak, Biswarup

“…For the progressive development of spintronics as the next generation information technology source, it is essential to look for materials with high abundance,…”
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