Structure and Reactivity of IrOx Nanoparticles for the Oxygen Evolution Reaction in Electrocatalysis: An Electronic Structure Theory Study

Kalishankar Bhattacharyya , Alexander A. Auer , Corentin Poidevin
Journal of Physical Chemistry C 125 ( 8) 4379 -4390

11
2021
Polymorphism Controlled Singlet Fission in TIPS-Anthracene: Role of Stacking Orientation

Kalishankar Bhattacharyya , Ayan Datta
Journal of Physical Chemistry C 121 ( 3) 1420

25
2017
Discriminative detection of nitro aromatic explosives by a luminescent metal–organic framework

KS Asha , Kalishankar Bhattacharyya , Sukhendu Mandal ,
Journal of Materials Chemistry C 2 ( 47) 10073 -10081

124
2014
Dual Fluorescence in GFP Chromophore Analogues: Chemical Modulation of Charge Transfer and Proton Transfer Bands

Tanmay Chatterjee , Mrinal Mandal , Ananya Das , Kalishankar Bhattacharyya
Journal of Physical Chemistry B 120 ( 14) 3503 -3510

15
2016
Aggregation induced non-emissive-to-emissive switching of molecular platinum clusters.

Anu George , Manju P. Maman , Kalishankar Bhattacharyya , Sudeshna Das Chakraborty
Nanoscale 11 ( 13) 5914 -5919

11
2019
Interaction of a bioactive molecule with surfaces of nanoscale transition metal oxides: experimental and theoretical studies

Prasanta Bandyopadhyay , Rajkumar Jana , Kalishankar Bhattacharyya , Oleg I. Lebedev
New Journal of Chemistry 43 ( 42) 16621 -16628

3
2019
Controlling electronic effects and intermolecular packing in contorted polyaromatic hydrocarbons (c-PAHs): towards high mobility field effect transistors

Kalishankar Bhattacharyya , Titas Kumar Mukhopadhyay , Ayan Datta
Physical Chemistry Chemical Physics 18 ( 22) 14886 -14893

6
2016
Size specific emission in peptide capped gold quantum clusters with tunable photoswitching behavior

Abhishek Baral , Kingshuk Basu , Sirshendu Ghosh , Kalishankar Bhattacharyya
Nanoscale 9 ( 13) 4419 -4429

17
2017
Controlled Pore Sizes in Monolayer C2N Act as Ultrasensitive Probes for Detection of Gaseous Pollutants (HF, HCN, and H2S)

Kalishankar Bhattacharyya , Saied Md. Pratik , Ayan Datta
Journal of Physical Chemistry C 122 ( 4) 2248 -2258

44
2018
Ultrafast Relaxation Dynamics of Luminescent Copper Nanoclusters (Cu7L3) and Efficient Electron Transfer to Functionalized Reduced Graphene Oxide

Subarna Maity , Dipankar Bain , Kalishankar Bhattacharyya , Soma Das
Journal of Physical Chemistry C

18
2017
Steric and electric field driven distortions in aromatic molecules: spontaneous and non-spontaneous symmetry breaking.

Kalishankar Bhattacharyya , Ammu Surendran , Chandra Chowdhury , Ayan Datta
Physical Chemistry Chemical Physics 18 ( 45) 31160 -31167

15
2016
Gauging the Nanotoxicity of h2D-C2N toward Single-Stranded DNA: An in Silico Molecular Simulation Approach

Titas Kumar Mukhopadhyay , Kalishankar Bhattacharyya , Ayan Datta
ACS Applied Materials & Interfaces 10 ( 16) 13805 -13818

20
2018
Polymorphism Dependent 9-Phosphoanthracene Derivative Exhibiting Thermally Activated Delayed Fluorescence: A Computational Investigation.

Arun K. Pal , Kalishankar Bhattacharyya , Ayan Datta
Journal of Physical Chemistry A 124 ( 52) 11025 -11037

2020
Light-Induced Conformational Change of Uracil-Anchored Polythiophene-Regulating Thermo-Responsiveness.

Radhakanta Ghosh , Sujoy Das , Kalishankar Bhattacharyya , Dhruba P. Chatterjee
Langmuir 34 ( 41) 12401 -12411

2
2018
Small Organic Molecules for Efficient Singlet Fission: Role of Silicon Substitution

Kalishankar Bhattacharyya , Saied Md Pratik , Ayan Datta
Journal of Physical Chemistry C 119 ( 46) 25696 -25702

22
2015
External electric field control: driving the reactivity of metal-free azide–alkyne click reactions

Kalishankar Bhattacharyya , Sharmistha Karmakar , Ayan Datta
Physical Chemistry Chemical Physics 19 ( 33) 22482 -22486

21
2017
Evidence of homo-FRET in quantum dot-dye heterostructured assembly.

Samyabrata Saha , Debashis Majhi , Kalishankar Bhattacharyya , Naupada Preeyanka
Physical Chemistry Chemical Physics 20 ( 14) 9523 -9535

11
2018
Visible-Light-Mediated Excited State Relaxation in Semi-Synthetic Genetic Alphabet: d5SICS and dNaM.

Kalishankar Bhattacharyya , Ayan Datta
Chemistry: A European Journal 23 ( 48) 11494 -11498

8
2017
Remote Functionalization through Symmetric or Asymmetric Substitutions Control the Pathway of Intermolecular Singlet Fission.

Arun K. Pal , Kalishankar Bhattacharyya , Ayan Datta
Journal of Chemical Theory and Computation 15 ( 9) 5014 -5023

6
2019
Visible light driven efficient metal free single atom catalyst supported on nanoporous carbon nitride for nitrogen fixation

Kalishankar Bhattacharyya , Ayan Datta
Physical Chemistry Chemical Physics 21 ( 23) 12346 -12352

55
2019