Personal information

Biography

Akhil S. Nair
Research Scholar
Indian Institute of Technology Indore

Activities

Employment (1)

Fritz Haber Institute of the Max Planck Society: Berlin, DE

Employment
Source: Self-asserted source
AKHIL S NAIR

Education and qualifications (1)

Indian Institute of Technology Indore: Indore, Madhya Pradesh, IN

2017-06-01 to present | Research Scholar (Chemistry)
Education
Source: Self-asserted source
AKHIL S NAIR

Works (33)

“Visualizing” the partially reversible conversion of gold nanoclusters via the Au23(S-c-C6H11)17 intermediate

Chemical Science
2024 | Journal article
Contributors: Saniya Gratious; Afreen; Eti Mahal; Jibin Thomas; Shubhadeep Saha; Akhil S. Nair; K. V. Adarsh; Biswarup Pathak; Sukhendu Mandal
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Crossref

Workflows for Artificial Intelligence

2024-11-13 | Preprint
Contributors: Jörg Behler; Gábor Csányi; Lucas Foppa; Kisung Kang; Marcel F. Langer; Johannes T. Margraf; Akhil S. Nair; Thomas A. R. Purcell; Patrick Rinke; Matthias Scheffler et al.
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Crossref

A luminescent Cu4 cluster film grown by electrospray deposition: a nitroaromatic vapour sensor

Nanoscale
2023 | Journal article
Contributors: Arijit Jana; B. K. Spoorthi; Akhil S. Nair; Ankit Nagar; Biswarup Pathak; Tomas Base; Thalappil Pradeep
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Crossref

Control over product formation and thermodynamic stability of thiolate-protected gold nanoclusters through tuning of surface protecting ligands

Nanoscale
2023 | Journal article
Contributors: Manju P. Maman; Eyyakkandy Nida Nahan; Greeshma Suresh; Arunendu Das; Akhil S. Nair; Biswarup Pathak; Sukhendu Mandal
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Crossref

Structure and Electrocatalytic Performance of Cocrystallized Ternary Molybdenum Oxosulfide Clusters for Efficient Water Splitting

ACS Materials Letters
2023-12-04 | Journal article
Contributors: Biswajit Mondal; Arijit Jana; Jayoti Roy; Astrid Campos Mata; Akhil S. Nair; Ananthu Mahendranath; Soumyabrata Roy; Biswarup Pathak; Pulickel M. Ajayan; Thalappil Pradeep
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Crossref

Mechanistic Study of Solvent-Mediated Oxygen Reduction Reaction/Oxygen Evolution Reaction for Li-Air Battery Applications

The Journal of Physical Chemistry C
2023-06-01 | Journal article
Contributors: Nishchal Bharadwaj; Sandeep Das; Akhil S. Nair; Biswarup Pathak
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Vertically Aligned Nanoplates of Atomically Precise Co6S8 Cluster for Practical Arsenic Sensing

ACS Materials Letters
2023-03-06 | Journal article
Contributors: Anagha Jose; Arijit Jana; Tanvi Gupte; Akhil S. Nair; Keerthana Unni; Ankit Nagar; Amoghavarsha R. Kini; B. K. Spoorthi; Sourav Kanti Jana; Biswarup Pathak et al.
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Single Cu Atom Doping on Au11 Nanocluster: Its Implication toward Selectivity in C–C Coupling Reaction

Chemistry of Materials
2023-02-28 | Journal article
Contributors: Sayani Mukherjee; Amitabha Das; Anish Kumar Das; Azmi Sheriff; Kesiya Sunny; Akhil S. Nair; Subhrajyoti Bhandary; Rohit Bhowal; Deepak Chopra; Biswarup Pathak et al.
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Crossref

Role of Fluxionality and Metastable Isomers in the ORR Activity: A Case Study

The Journal of Physical Chemistry C
2023-01-12 | Journal article
Contributors: Rahul Kumar Sharma; Akhil S. Nair; Nishchal Bharadwaj; Diptendu Roy; Biswarup Pathak
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Crossref

[Cu18H3(S-Adm)12(PPh3)4Cl2]: fusion of Platonic and Johnson solids through a Cu(0) center and its photophysical properties

Chemical Science
2022 | Journal article
Contributors: Anish Kumar Das; Sourav Biswas; Vaibhav S. Wani; Akhil S. Nair; Biswarup Pathak; Sukhendu Mandal
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Crossref

Accounting for Dispersion Effects in the DFT Framework of Electrocatalysis: A Hybrid Solvation Model-Based Case Study of the Oxygen Reduction Reaction

The Journal of Physical Chemistry C
2022-04-14 | Journal article
Contributors: Akhil S. Nair; Biswarup Pathak
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Size-Dependent Effects in Fullerene-Based Catalysts for Nonaqueous Li–Air Battery Applications

ACS Applied Energy Materials
2022-03-28 | Journal article
Contributors: Nishchal Bharadwaj; Akhil S. Nair; Sandeep Das; Biswarup Pathak
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Crossref

Computational Screening of First-Row Transition-Metal Based Alloy Catalysts─Ligand Induced N2 Reduction Reaction Selectivity

ACS Physical Chemistry Au
2022-03-23 | Journal article
Contributors: Arunendu Das; Shyama Charan Mandal; Akhil S. Nair; Biswarup Pathak
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Crossref

Relativistic Effects in Platinum Nanocluster Catalysis: A Statistical Ensemble-Based Analysis

The Journal of Physical Chemistry A
2022-03-03 | Journal article
Contributors: Akhil S. Nair; Anakuthil Anoop; Rajeev Ahuja; Biswarup Pathak
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Crossref

Switchable photon and phonon emission properties of an atomically precise Ag14 core-based two-dimensional silver cluster-assembled material

Materials Chemistry Frontiers
2021 | Journal article
Contributors: Anish Kumar Das; Sourav Biswas; Anjali Thomas; Souradip Paul; Akhil S. Nair; Biswarup Pathak; M. Suheshkumar Singh; Sukhendu Mandal
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Crossref

Role of Ligand on Photophysical Properties of Nanoclusters with fcc Kernel: A Case Study of Ag14(SC6H4X)12(PPh3)8 (X = F, Cl, Br)

Inorganic Chemistry
2021-12-20 | Journal article
Contributors: Anish Kumar Das; Roopesh Mekkat; Subarna Maity; Akhil S. Nair; Subhrajyoti Bhandary; Rohit Bhowal; Amitava Patra; Biswarup Pathak; Deepak Chopra; Sukhendu Mandal
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Gold Deassembly: From Au44(SPh-tBu)28 to Au36(SPh-tBu)24 Nanocluster through Dynamic Surface Structure Reconstruction

The Journal of Physical Chemistry Letters
2021-11-18 | Journal article
Contributors: Saniya Gratious; Akhil S. Nair; Sayani Mukherjee; Neha Kachappilly; Biswarup Pathak; Sukhendu Mandal
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Crossref

Role of atomicity in the oxygen reduction reaction activity of platinum sub nanometer clusters: A global optimization study

Journal of Computational Chemistry
2021-10-15 | Journal article
Contributors: Akhil S. Nair; Anakuthil Anoop; Rajeev Ahuja; Biswarup Pathak
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Crossref

Dimensional-Dependent Effects in Platinum Core–Shell-Based Catalysts for Fuel Cell Applications

ACS Applied Nano Materials
2021-09-24 | Journal article
Contributors: Nishchal Bharadwaj; Akhil.S. Nair; Biswarup Pathak
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Crossref

Current Density Calculations of an Octahedral Fe Nanocluster for Selective Electrocatalytic for Nitrogen Reduction

ACS Applied Nano Materials
2021-08-27 | Journal article
Contributors: Arunendu Das; Akhil S. Nair; Shyama Charan Mandal; Biswarup Pathak
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Crossref

Accounting for Dispersion Effects in DFT Framework of Electrocatalysis: A Case Study of Solvent Mediated Oxygen Reduction Reaction

2021-08-04 | Preprint
Contributors: Akhil S. Nair; Biswarup Pathak
Source: check_circle
Crossref

Accounting for Dispersion Effects in DFT Framework of Electrocatalysis: A Case Study of Solvent Mediated Oxygen Reduction Reaction

2021-08-04 | Other
Contributors: Akhil S. Nair; Biswarup Pathak
Source: check_circle
Crossref

Computational strategies to address the catalytic activity of nanoclusters

WIREs Computational Molecular Science
2021-07 | Journal article
Contributors: Akhil S. Nair; Biswarup Pathak
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Crossref

Unraveling the single-atom electrocatalytic activity of transition metal-doped phosphorene

Nanoscale Advances
2020 | Journal article
Contributors: Akhil S. Nair; Rajeev Ahuja; Biswarup Pathak
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Defects Engineering on Ceria and C–C Coupling Reactions Using [Au11(PPh3)7I3] Nanocluster: A Combined Experimental and Theoretical Study

ACS Nano
2020-12-22 | Journal article
Contributors: Anish Kumar Das; Sayani Mukherjee; Sreehari S. R; Akhil S. Nair; Subhrajyoti Bhandary; Deepak Chopra; Dirtha Sanyal; Biswarup Pathak; Sukhendu Mandal
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Crossref

Synergistic Effect of Bridging Thiolate and Hub Atoms for the Aromaticity Driven Symmetry Breaking in Atomically Precise Gold Nanocluster

The Journal of Physical Chemistry Letters
2020-12-03 | Journal article
Contributors: Manju P. Maman; Akhil S. Nair; Asif Mohammed Abdul Hakkim Nazeeja; Biswarup Pathak; Sukhendu Mandal
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Crossref

Elucidating Mechanistic Origin of the Catalytic Activity of the Fe(111) Surface and Nanoclusters toward the Electrochemical Nitrogen Reduction Reaction

The Journal of Physical Chemistry C
2020-09-17 | Journal article
Contributors: Arunendu Das; Akhil S. Nair; Biswarup Pathak
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Crossref

Size Evolution Dynamics of Gold Nanoclusters at an Atom-Precision Level: Ligand Exchange, Growth Mechanism, Electrochemical, and Photophysical Properties

The Journal of Physical Chemistry Letters
2020-03-05 | Journal article
Contributors: Manju P. Maman; Akhil S. Nair; Haritha Cheraparambil; Biswarup Pathak; Sukhendu Mandal
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Recent advancements in Pt-nanostructure-based electrocatalysts for the oxygen reduction reaction

Catalysis Science & Technology
2019 | Journal article
Contributors: Arup Mahata; Akhil S. Nair; Biswarup Pathak
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Identification of Intermediate Au22(SR)4(SR′)14 Cluster on Ligand-Induced Transformation of Au25(SR)18 Nanocluster

The Journal of Physical Chemistry Letters
2019-08-15 | Journal article
Contributors: Anu George; Anusree Sundar; Akhil S. Nair; Manju P. Maman; Biswarup Pathak; Nitya Ramanan; Sukhendu Mandal
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Computational Screening of Electrocatalytic Activity of Transition Metal-Doped CdS Nanotubes for Water Splitting

The Journal of Physical Chemistry C
2019-06-06 | Journal article
Contributors: Priyanka Garg; Akhil S. Nair; Kuber Singh Rawat; Biswarup Pathak
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Computational Screening for ORR Activity of 3d Transition Metal Based M@Pt Core–Shell Clusters

The Journal of Physical Chemistry C
2019-02-14 | Journal article
Contributors: Akhil S. Nair; Biswarup Pathak
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Multilayered Platinum Nanotube for Oxygen Reduction in a Fuel Cell Cathode: Origin of Activity and Product Selectivity

ACS Applied Energy Materials
2018-08-27 | Journal article
Contributors: Akhil S Nair; Arup Mahata; Biswarup Pathak
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Crossref