Organization

Start Date

End Date

Designation

Nature of Work

Teaching and Research & Development (R & D)

Name of the Student

Topic

Year of Award

Co-Supervisor (if any)

Sakshi Pareek

Designing advanced biomass driven nanocomposites for wastewater treatment: Harmonizing theory and practice

Ongoing

Supervisor (Dr. Komal Arora, Manipal University Jaipur)
Co-supervisor (Dr. S. K. Pandey, MANIT Bhopal)

Title

Sponsoring Agency

Duration

Amount

Co-PI (if any)

Title

Sponsoring Agency

Duration

Amount

Co-Investigator                       (if any)

Authors

Title

VOL. NO.,

PAGE NO

YEAR

SCI/

Scopus

IMPACT FACTOR

S. K. Tiwari, S. K. Pandey*, R. Randey, N. Wang, Y. K. Mishra, and M. Bystrzejewski

Stone-Wales Defect in Graphene

Small

230334, 1-32,

DOI: 10.1002/smll.202303340

2023

Scopus

15.153

S. H. S. Pai, S. K. Pandey, E. J. J. Samuel, J. U. Jang. A. K. Nayak, and H. S. Han

Recent advances in NiO-based nanostructures for energy storage device applications

J. Energy Storage

76, 109731, DOI: 10.1016/j.molliq.2023.123661

2024

Scopus

9.4

S. Awasthi* and S. K. Pandey*

Recent advances in smart hydrogels and carbonaceous nanoallotropes composites

App. Mat. Today

36, 102058/1-38, DOI: 10.1016/j.apmt.2024.102058

2024

Scopus

8.3

A. A. Mini, A. Chakravorty, S. Das, S. Awasthi, A. N. Grace, S. K. Pandey*, and Vamala, R.*

CuO nanoparticles passivated 2D MXene-based voltammetric sensor for detecting environmental hazardous pollutant

Microchemical Journal

201, 110648, DOI: 10.1016/j.microc.2024.110648  

2024

Scopus

4.8

S. Awasthi*, B. P., Palomero, A. Srivastava, S. Selvaraj, and S. K. Pandey*

Nanodiamond-structured zinc composite coatings with strong bonding and high load-bearing capacity, Nanoscale Advances

Nanoscale Adv.

6, 1001-1010, DOI:

10.1039/D3NA00809F

2024

Scopus

4.7

T. Wei, T. Gu, X. Liang, H. Xu, G. Chayal , S. K. Pandey, and G. D. Sharma

D-A-D type small molecule donors based on BODIPY skeleton for bulk heterojunction organic solar cells

J. Photochem. & Photobio. A: Chemistry

446, 115103, DOI:

10.1016/j.jphoto

chem.2023.115103

2024

Scopus

4.3

S. Awasthi*, S. De, and S. K. Pandey*

Advancement in Fabrication and Characterization Techniques of Nanocomposites

ACS Omega

9 (18), 19756–19769, DOI: 10.1021/acsomega.3c09981

2024

Scopus

4.1

S. Awasthi*, S. De, and S. K. Pandey*

Electrodeposited carbon nanostructured nickel composite coatings: A review

Heliyon

10 (8), e26051, DOI: 10.1016/j.heliyon.2024.e26051

2024

Scopus

4

A. R. Kumar, S. Selvaraj*, P. Rajkumar, J. Dhanalakshmi, M. Kumar, S. K. Nagarajan, P. Jayaprakash, G. P. S. Mol, S. Awasthi, S. K. Pandey*

Insights into structural, vibrational, and chemical shift characteristics, solvents impact (polar and nonpolar) on electronic properties and reactive sites, ADMET predictions, and ligand-protein interactions for antiviral drugs safrole and isosafrole: An in-silico approach

Chem. Phys. Impact

8, 100443,

 DOI: 10.1016/j.chphi.2023.100443

2024

Scopus

2.2

A. R. Kumar, S. Selvaraj, G. P. Mol, M. Selvaraj*, L. Ilavarasan, S. K. Pandey, P. Jayaprakash, S. Awasthi, O. Albormani, and A. Ravi

Synthesis, solvent-solute interactions (polar and non-polar), spectroscopic insights, topological aspects, Fukui functions, molecular docking, ADME, and donor-acceptor investigations of 2-(trifluoromethyl)benzimidazole: A promising candidate for antitumor pharmacotherapy,

J. Mol. Liq.

393, 123661, DOI: 10.1016/j.molliq.2023.123661

2023

Scopus

6

S. Das, A. Chakravorty, S. Luktuke, A. Raj, A. A. Mini, K. Ramesh, A. N. Grace, S. K. Pandey* and Vimala, R.

Graphene/Gadolinium Oxide Composite Modified Screen-Printed Electrochemical Sensor for Detection of Diclofenac Sodium

Results in Chemistry

6, 101189, DOI: https://doi.org/10.1016

/j.rechem.2023.101189

2023

Scopus

2.3

T. Mandal, A. Ghosh, S. R. Mishra, S. K. Pandey*, and V. Singh

Development of Fluorescent Carbon Nanoparticles from Madhuca Longifolia Flower for Sensitive and Selective Detection of Cr (IV): A Collective Experimental-Computational Approach

Nanoscale Adv.

5, 4259, DOI: 10.

1039/d3na00289f

2023

Scopus

5.598

S. K. Pandey* S. Hossain, and E. Arunan

New Insights into the Formation of CH₃OCH₃ and CH₃SCH₃ without and with the Assistance of Na⁺ Ions and Some Implications for Interstellar Chemistry: An In Silico Approach

ACS Earth Space Chem.

7, 388–403, DOI: 10.1021/acseart

hspacechem.2c00292

2023

Scopus

3.556

S. K. Pandey*, E. Arunan, R. Das, A. Roy, and A. K. Mishra

Recent advances in in-silico design and characterization of superalkali-based materials and their potential applications: A review

Front. Chem.

10:1019166, DOI: 10.3389/fchem

.2022.1019166

2022

Scopus

5.545

S. Awasthi, S. K.  Pandey*, J.  Gaur, and C. Srivastava

Load Bearing Studies and Interfacial Interactions of Hydroxyapatite Composite Coatings for Bone Tissue Engineering

Mater. Chem. Front.

6, 3731-3747, DOI: 10.1039/D2QM00898J

2022

Scopus

8.683

X. Zong, H. Dahiya, Y. Song, X. Liang, S. K. Pandey, H. Xu, and G. D. Sharma

Alkynyl BODIPY-Core Bridged Perylene Diimide Star-Shaped Nonfullerene Acceptors for Efficient Polymer Solar Cells

ACS Appl. Energy Mater.

5, 15624-15637, DOI: 10.1021/acsaem.2c03200

2022

Scopus

6.959

T. Wei, H. Dahiya, X. Liang, W. Zhu, S. K. Pandey, M. K. Singh, H. Xu, and G. D. Sharma

Bulk heterojunction organic photovoltaic cells based on D-A type BODIPY small molecules as nonfullerene acceptor

J. Mater. Chem. C

10, 12776-12788, DOI: 10.1039/D2TC02497G

2022

Scopus

8.067

R. S. S. S. Vemuri, S. K. Pandey*, and G. P. Khanal

A Computational Investigation on the Structural, Stability, and Electronic Feature Analyses of Substrates (Methyl Orange and Vanadium Oxide) Associated with Surfactant (Triton X-100)

Curr. App. Poly. Sci.

5, 60-71, DOI: 10.2174/245227160

5666220315155041

2022

ISSN: 2452-2724

-

S. Awasthi, J.  Gaur, S. K.  Pandey*, M. S. Bobji, and C. Srivastava*

High Strength, Strongly Bonded Nanocomposite Hydrogels for Cartilage Repair

ACS Appl. Mater. Interfaces

13, 24505-24523, DOI: 10.1021/acsami.1c05394

2021

Scopus

10.383

S. Awasthi, S. K. Pandey*, E. Arunan, and C. Srivastava

A Review on Hydroxyapatite Composites for Biomedical Application: From Experimental and Theoretical Perspectives

J. Mater. Chem. B

9, 228-249, DOI:  10.1039/D0TB02407D

2021

Scopus

7.571

S. K. Pandey*

Novel and Polynuclear K- and Na-Based Superalkali Hydroxides as Superbases Better than Li-Related Species and Their Enhanced Properties: From ab Initio Exploration

ACS Omega

6, 31077-31092, DOI: 10.1021/acsomega.1c04395

2021

Scopus

4.132

S. K. Pandey* and E. Arunan

Effects of Multiple OH/SH Substitution on the H-bonding/Stability versus Aromaticity of Benzene Rings: From Computational Insights

Chemistry Select

6, 5120-5139. DOI: 10.1002/slct.202100689

2021

Scopus

2.307

S. K. Pandey*

Computational Study on the Structure, Stability, and Electronic Feature Analyses of Trapped Halocarbons inside a Novel Bispyrazole Organic Molecular Cage

ACS Omega

6, 11711-11728. (DOI: 10.1021/acsomega.1c01019

2021

Scopus

4.132

P. Yadav, S. K. Pandey, P. Sharma, S. Kumar, M. Banerjee, and A. Sethi

Experimental and Theoretical Investigation of synthesized Pregnenolone Derivatives via Palladium Catalyzed Cross Coupling Reactions, their anticancer activity against lung cancer cells,

J. Mol. Struct.

1245, 131115,DOI: 10.1016/j.molstruc.2021.131115

2021

Scopus

3.841

S. Awasthi, S. K. Pandey, and K. Balani

Tuning the Magnetism and Tribological Behaviour of Electrodeposited Ni/Cu Bi-layer by Selective Reinforcement of Carbon Nanotubes

J. Alloys Comp.

818, 153287/1-12, DOI: 10.1016/j.jallcom.2019.153287

2020

Scopus

6.371

K. Singh, A. Kumar, S. K. Pandey, S. Awasthi, S. K. Gupta, and P. Mishra

Interpretation of Adsorption Behaviour of Carboxymethyl Cellulose onto Functionalized Accurel Hydrophilic Polymeric Surface

Ind. Eng. Chem. Res.

59, 19102-19116. DOI: 10.1021/acs.iecr.0c03894

2020

Scopus

4.326

V. Mohan, N. Das, V. K. Jain, S. K. Pandey, Md. S. H. Faizi, J. Daniel, and P. Sen

Highly Selective and Sensitive (PPB Level) Quinolin based Colorimetric Chemosensor for Cu(II)

Chemistry Select

5, 9435-9442, DOI: 10.1002/slct.202001814

2020

Scopus

2.307

R. K. Mudsainiyan, A. K. Jassal, and S. K. Pandey

Structural Diversity from Co-crystal to 1D Coordination Polymers of 2, 6-NaphthaleneDicarboxylic Acid with 4, 4'-Bipyridine as Coligand: Structural and Computational Approach

J. Coord. Chem.

73, 3363-3381, DOI: 10.1080/00958972.20

20.1853108

2020

SCI

1.869

S. Awasthi, S. K. Pandey, C. P. Pandey, and K. Balani

Progress in Electrophoretic Deposition of Nickel with Carbonaceous Allotropes:  A Review

Adv. Mater. Interfaces

7, 1901096/1-33, DOI: 10.1002/admi.201901096

2019

Scopus

6.389

K. Singh, A. Kumar, S. Awasthi, S. K. Pandey, and P. Mishra

Adsorption Mechanism of Carboxymethyl Cellulose onto Mesoporous Mustard Carbon: Experimental and Theoretical Aspects

Colloids and Surfaces A

581, 123786. DOI: 10.1016/j.colsurfa.2019.123786

2019

Scopus

5.518

R. Singh, G. Kociok-Köhn, K. Singh, S. K. Pandey*, and L. Singh

Influence of ligand coordination, solvent, and non-covalent interaction on the structural outcomes in coordination polymers with direct Cd(II)-alkanesulfonate bonds: A combined experimental and computational study

J. Solid State Chem.

280, 120992, DOI: 10.1016/j.jssc.2019.120992

2019

Scopus

3.656

M. Gupta, K. Tomar, S. K. Pandey, and P. K. Bharadwaj

Weak and Reversible Binding of Alkali Metal Ions (Na+/K+) by an Aza-Oxa Cryptand

Chemistry Select

4, 1785-1788, DOI: 10.1002/slct.201803353

2019

Scopus

2.307

A. K. Srivastava, S. K. Pandey and N. Misra

Computational Study on Semiconducting Si₆₀, Si₅₉Al and Si₅₉P Nanocages

Chem. Phys. Lett.

691, 82-86, DOI: 10.1016/j.cplett.2017.11.001

2018

2.713

R. Singh, K. Singh, and S. K. Pandey*

A Computational Scrutiny on the Stability, Structural, and Electronic Features of Alkanesulfonate Based Zincate Salt with Varying Countercations

Chemistry Select

3, 13048-13056. DOI: 10.1002/slct.201803175

2018

Scopus

2.307

M. Arora, S. K. Chawla, S. K. Pandey, and R. K. Mudsainiyan

Anion Controlled Geometrically Different Cu(II) ion based Coordination Polymers and Green synthetic route for Copper nanoparticles: A Combined Experimental and Computational Insight

J. Coord. Chem.

71, 2243-2266, DOI: 10.1080/00958972.2018.1483077

2018

SCI

1.869

A. K. Srivastava, S. K. Pandey*, A. K. Pandey, and N. Misra,

C₆₀ as Electron Acceptor and Donor: A Comparative DFT Study of Li@C₆₀ and F@C₆₀

Aus. J. Chem.

71, 953-956, DOI: 10.1071/CH18391

2018

Scopus

1.224

R. K. Mudsainiyan and S. K. Pandey

A Combined Theoretical Calculations and Hirshfeld Surface Analysis of Cooperative Non-covalent Interactions in the Crystal Packing in [Cu(L1)₂(EDA)]

Z. Anorg. Allg. Chem.

643, 1245-1252, DOI: 10.1002/zaac.201700182

2017

SCI

1.414

S. Awasthi, S. K. Pandey, A. Juyal, C. P. Pandey, and K. Balani

Synergistic Effect of Carbonaceous Reinforcements on Microstructural, Electrochemical, Magnetic and Tribological Properties of Electrophoretically Deposited Nickel

J. Alloys Comp.

711, 424-433, DOI: 10.1016/j.jallcom.2017.04.003

2017

Scopus

6.371

S. K. Pandey, D. Manogaran, S. Manogaran, and H. F. Schaefer III

Quantification of Hydrogen Bond Strength Based on Interaction Coordinates: A New Approach

J. Phys. Chem. A

121, 6090-6103, DOI: 10.1021/acs.jpca.7b04752

2017

Scopus

2.944

A. K. Srivastava, N. Misra, and S. K. Pandey*

DFT study on planar (CaO)_n clusters (n = 1−5) and their hydrogen storage behavior

J. Clust. Sci.

29, 57-65, DOI: 10.1007/s10876-017-1306-x

2017

Scopus

3.447

A. K. Srivastava, S. K. Pandey and N. Misra

Structure, electronic properties and electronic excitation analyses of Si₆₀—Si₆₀ dimer and Si₅₉Al—S₅₉P complex

Curr. App. Phys.

17, 1376-1381, DOI: 10.1016/j.cap.2017.07.014

2017

Scopus

2.856

S. H. Mehdi, R. M. Ghalib, S. Awasthi, S. F. Alshahateet, R. Hashim, O. Sulaiman, and S. K. Pandey*

Synthesis, Characterization, Crystal Structure, and Stability of 2-(5, 5-dimethyl-3-oxocyclohex-1-en-1-yl) Hydrazinecarbothioamide: A Combined Experimental and Theoretical Study

Chemistry Select

2, 6699-6709, DOI: 10.1002/slct.201700799

2017

Scopus

2.307

A. K.  Srivastava, S. K. Pandey and N. Misra

Encapsulation of lawrencium into C₆₀ fullerene: Lr@C₆₀ versus Li@C₆₀

Mater. Chem. Phys.

177, 437-441, DOI: 10.1016/j.matchemphys.2016.04.050

2016

Scopus

4.778

S. K. Pandey, D. Manogaran, S. Manogaran, and H. F. Schaefer III

Quantification of Aromaticity Based on Interaction Coordinates: A New Proposal

J. Phys. Chem. A

120, 2894-2901, DOI: 10.1021/acs.jpca.6b00240

2016

Scopus

2016

A. K. Srivastava, S. K. Pandey and N. Misra

Structure, energetics, spectral and electronic properties of B₃N₃C₅₄ heterofullerene

J. Nanostruct. Chem.

6, 103-109, DOI: 10.1007/s40097-015-0184-8

2016

Scopus

8

S. Sharma, G. Brahmachari, B. Banerjee, K. Nurjamal, A. Kumar, A. K. Srivastava, N. Misra, S. K. Pandey, Rajnikant, and V. K. Gupta

Synthesis, spectroscopic characterization and crystallographic behavior of a biologically relevant novel indole-fused heterocyclic compound — Experimental and theoretical (DFT) studies

J. Mol. Struct.

1118, 344-355, DOI: 10.1016/j.molstruc.2016.04.038

2016

Scopus

3.841

A. K. Srivastava, S. K. Pandey and N. Misra

(CH₃Br⋯NH₃)@C₆₀: The Effect of Nano Confinement on Halogen Bonding

Chem. Phys. Lett.

662, 240-243, DOI: 10.1016/j.cplett.2016.09.036

2016

Scopus

2.713

A. K. Srivastava, S. K. Pandey and N. Misra

Prediction of Superalkali@C₆₀ Endofullerenes, Their Enhanced Stability and Interesting Properties

Chem. Phys. Lett.

655-656, 71-75, DOI: 10.1016/j.cplett.2016.05.039

2016

Scopus

2.713

A. K. Srivastava, A. Kumar, S. K. Pandey and N. Misra

Spectroscopic analyses, intra-molecular interaction, chemical reactivity and molecular docking of imerubrine into 5-HT3 receptor

Med. Chem. Res.

25, 2832-2841, DOI: 10.1007/s00044-016-1710-z

2016

Scopus

2.351

A. K. Srivastava, S. K. Pandey and N. Misra

Stability versus aromaticity in mono-hydroxylated borazine, 1,2-azaborine and 1,3,2,4-Diazadiborine

Mol. Phys.

114, 1763-1770, DOI: 10.1080/00268976.2016.1145749

2016

Scopus

1.937

A. K. Srivastava, S. K. Pandey and N. Misra

BO₂ Functionalized B₃N₃C₅₄ Heterofullerene as a Possible Candidate for Molecular Spintronics and Nonlinear Optics

Mater. Res. Exp.

3, 045008/1-8, DOI: 10.1088/2053-1591/3/4/045008

2016

Scopus

2.025

A. K. Srivastava, S. K. Pandey and N. Misra

The aromaticity and electronic properties of monosubstituted benzene, borazine and diazaborine rings: An ab initio MP2 study

Theor. Chem. Acc.

135, 158/1-7, DOI: 10.1007/s00214-016-1918-5

2016

Scopus

2.154

S. K. Pandey*, M. F. Khan, S. Awasthi, R. Sangwan, and S. Jain

A Quantum Theory of Atoms-in-Molecules Perspective and DFT Study of two   Natural Products: Trans-communic and Imbricatolic Acid

Aus. J. Chem.

70, 328-333, DOI: 10.1071/CH16406

2016

Scopus

1.224

S. K. Pandey, A. K. Srivastava, and N. Misra

Relaxed Force Constants and QTAIM Analysis for Benzene, Borazine and Azaborines: New Insights into Bonding in the Six Membered Rings

J. Comp. Meth. Mol. Des.

6, 15-22

2016

ISSN: 2231-3176

-

A. K. Srivastava, S. K. Pandey and N. Misra

Superhalogen properties of ReF_n(n≥6) species

Chem. Phys. Lett.

624, 15–18, DOI: 10.1016/j.cplett.2015.01.056

2015

Scopus

2.713

A. K. Srivastava, S. K. Pandey, A. Kumar, and N. Misra

Vibrational Dynamics of B₃N₃ Substituted C₆₀ Fullerene

J. Sci. Res. Adv.

3, 231-234

2016

ISSN: 2395-0226

-

S. K. Pandey, P. Das, P. Das, E. Arunan, and S. Manogaran

Intramolecular hydrogen bond: Can it be part of the basis set of valence internal coordinates in normal mode analysis?

J. Chem. Sci.

127, 1127-1134, DOI: 10.1007/s12039-015-0866-2

2015

Scopus

2.15

A. K. Srivastava, S. K. Pandey, S. K. Gangwar and A. Tamulis

Electronic transitions in two micelles system: DFT and TD-DFT approaches

J. Comp. Meth. Mol. Des.

5, 27-32

2015

ISSN: 2231-3176

-

S. Awasthi., S. De, and S. K. Pandey*

Book Title: Handbook of Composite Materials for Advanced Biomedical Application;

Chapter 25: Surface Grafting of Carbon Nanostructures, (2024);

Springer-Nature

1-45, DOI: 10.1007/978-3-031-14955-9_29-1, Print ISBN: 978-3-031-14955-9

2024

-

A. Srivastava, S. De, S. Awasthi., S. K. Pandey*

Book Title: Sustainable Materials in Supercapacitors: New Developments in Green Energy Storage;

Chapter 15: Green Supercapacitors in Transportation Systems (Chapter Under Review Process) (Nov, 2023)

Elsevier

Under Review

2024

-

Title

Year

Agency

Co-Investigator(if any)

Published/Granted

Granted (Application No: 202241016585)