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Nanoscale Advances
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September 22, 2022
Unraveling the single-atom electrocatalytic activity of transition metal-doped phosphorene
Akhil S Nair, Rajeev Ahuja, Biswarup Pathak
Faraday Discussions
|
May 1, 2026
Interpretable Bayesian optimization for catalyst discovery
Akhil S Nair, Lucas Foppa, Matthias Scheffler
Scientific Data
|
August 29, 2025
Materials Database from All-electron Hybrid Functional DFT Calculations
Akhil S Nair, Lucas Foppa, Matthias Scheffler
The Journal of Physical Chemistry. A
|
February 21, 2022
Relativistic Effects in Platinum Nanocluster Catalysis: A Statistical Ensemble-Based Analysis
Akhil S Nair, Anakuthil Anoop, Rajeev Ahuja, et al.
Journal of Computational Chemistry
|
July 26, 2021
Role of atomicity in the oxygen reduction reaction activity of platinum sub nanometer clusters: A global optimization study
Akhil S Nair, Anakuthil Anoop, Rajeev Ahuja, et al.
ACS Physical Chemistry Au
|
March 1, 2023
Computational Screening of First-Row Transition-Metal Based Alloy Catalysts-Ligand Induced N<sub>2</sub> Reduction Reaction Selectivity
Arunendu Das, Shyama Charan Mandal, Akhil S Nair, et al.
The Journal of Physical Chemistry Letters
|
February 18, 2020
Size Evolution Dynamics of Gold Nanoclusters at an Atom-Precision Level: Ligand Exchange, Growth Mechanism, Electrochemical, and Photophysical Properties
Manju P Maman, Akhil S Nair, Haritha Cheraparambil, et al.
The Journal of Physical Chemistry Letters
|
November 5, 2021
Gold Deassembly: From Au<sub>44</sub>(SPh-<sup></sup>Bu)<sub>28</sub> to Au<sub>36</sub>(SPh-<sup></sup>Bu)<sub>24</sub> Nanocluster through Dynamic Surface Structure Reconstruction
Saniya Gratious, Akhil S Nair, Sayani Mukherjee, et al.
The Journal of Physical Chemistry Letters
|
November 12, 2020
Synergistic Effect of Bridging Thiolate and Hub Atoms for the Aromaticity Driven Symmetry Breaking in Atomically Precise Gold Nanocluster
Manju P Maman, Akhil S Nair, Asif Mohammed Abdul Hakkim Nazeeja, et al.
Chemical Science
|
July 25, 2022
[Cu<sub>18</sub>H<sub>3</sub>(S-Adm)<sub>12</sub>(PPh<sub>3</sub>)<sub>4</sub>Cl<sub>2</sub>]: fusion of Platonic and Johnson solids through a Cu(0) center and its photophysical properties
Anish Kumar Das, Sourav Biswas, Vaibhav S Wani, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 17) with videos related to
Sort By:
Page
of 2
Nanoscale Advances
|
September 22, 2022
Unraveling the single-atom electrocatalytic activity of transition metal-doped phosphorene
Akhil S Nair, Rajeev Ahuja, Biswarup Pathak
Faraday Discussions
|
May 1, 2026
Interpretable Bayesian optimization for catalyst discovery
Akhil S Nair, Lucas Foppa, Matthias Scheffler
Scientific Data
|
August 29, 2025
Materials Database from All-electron Hybrid Functional DFT Calculations
Akhil S Nair, Lucas Foppa, Matthias Scheffler
The Journal of Physical Chemistry. A
|
February 21, 2022
Relativistic Effects in Platinum Nanocluster Catalysis: A Statistical Ensemble-Based Analysis
Akhil S Nair, Anakuthil Anoop, Rajeev Ahuja, et al.
Journal of Computational Chemistry
|
July 26, 2021
Role of atomicity in the oxygen reduction reaction activity of platinum sub nanometer clusters: A global optimization study
Akhil S Nair, Anakuthil Anoop, Rajeev Ahuja, et al.
ACS Physical Chemistry Au
|
March 1, 2023
Computational Screening of First-Row Transition-Metal Based Alloy Catalysts-Ligand Induced N<sub>2</sub> Reduction Reaction Selectivity
Arunendu Das, Shyama Charan Mandal, Akhil S Nair, et al.
The Journal of Physical Chemistry Letters
|
February 18, 2020
Size Evolution Dynamics of Gold Nanoclusters at an Atom-Precision Level: Ligand Exchange, Growth Mechanism, Electrochemical, and Photophysical Properties
Manju P Maman, Akhil S Nair, Haritha Cheraparambil, et al.
The Journal of Physical Chemistry Letters
|
November 5, 2021
Gold Deassembly: From Au<sub>44</sub>(SPh-<sup></sup>Bu)<sub>28</sub> to Au<sub>36</sub>(SPh-<sup></sup>Bu)<sub>24</sub> Nanocluster through Dynamic Surface Structure Reconstruction
Saniya Gratious, Akhil S Nair, Sayani Mukherjee, et al.
The Journal of Physical Chemistry Letters
|
November 12, 2020
Synergistic Effect of Bridging Thiolate and Hub Atoms for the Aromaticity Driven Symmetry Breaking in Atomically Precise Gold Nanocluster
Manju P Maman, Akhil S Nair, Asif Mohammed Abdul Hakkim Nazeeja, et al.
Chemical Science
|
July 25, 2022
[Cu<sub>18</sub>H<sub>3</sub>(S-Adm)<sub>12</sub>(PPh<sub>3</sub>)<sub>4</sub>Cl<sub>2</sub>]: fusion of Platonic and Johnson solids through a Cu(0) center and its photophysical properties
Anish Kumar Das, Sourav Biswas, Vaibhav S Wani, et al.
Page
of 2