Publications

Kailash Singh, Kaliaperumal Selvaraj*

Journal of Colloid and Interface Science, Available online 7 March 2024

Tensile nanostructured hierarchically porous non-precious transition metal-based electrocatalyst for durable anion exchange membrane-based water electrolysis

https://doi.org/10.1016/j.jcis.2024.02.170 

Darren Sebastian Christi, Kaliaperumal Selvaraj*

International Journal of Hydrogen Energy, Volume 59, 15 March 2024, Pages 74-81

Nanocrystalline Nanocrystalline (NixCo(1-x))3(PO4)2@FeSe2/NF as a promising OER electrocatalyst for alkaline water electrolysis

https://doi.org/10.1016/j.ijhydene.2024.01.264 

Tushar Singh Verma, Afshana Hassan Dar, Manzoor Ahmad Dar, Kaliaperumal Selvaraj*, Sailaja Krishnamurty

International Journal of Hydrogen Energy, Volume 58, 8 March 2024, Pages 1345-1358

Computational identification of most potent atom pair catalysts for electrocatalytic nitrogen reduction reaction over hydrogen evolution reaction

https://doi.org/10.1016/j.ijhydene.2024.01.203 

Rajendra Prasad, Kaliaperumal Selvaraj

Nanotheranostics, 2024, 2024; 8(1): 12-32. 

Choice of Nanoparticles for Theranostics Engineering: Surface Coating to Nanovalves Approach

https://doi.org/10.7150/ntno.89768

Rajendra Prasad, Kaliaperumal Selvaraj

ACS Appl. Mater. Interfaces 2023

Effective Distribution of Gold Nanorods in Ordered Thick Mesoporous Silica: A Choice of Noninvasive Theranostics

https://doi.org/10.1021/acsami.3c06108

Monika Mukul, Kaliaperumal Selvaraj, Surya Kant Tripathi

MRS Communications, 2023, Springer

Unleashing methylammonium-guanidinium lead iodide hybrid perovskite spherulitic microstructures: a structural and morphological investigation

DOI: https://doi.org/10.1557/s43579-023-00375-w

Tushar Singh Verma, Pragnya Paramita Samal, Kaliaperumal Selvaraj*, Sailaja Krishnamurty

ChemPhysChem, 2023.

Can Li Atoms Anchored on Boron- and Nitrogen-Doped Graphene Catalyze Dinitrogen Molecules to Ammonia? A DFT Study

https://doi.org/10.1002/cphc.202200750 

Zinoy Manappadan, Kaliaperumal Selvaraj*

Energy Advances, 2022. 

Multi-functional O2–H2 electrochemistry by an abundant mineral: a novel and sustainable alternative for noble metals in electrolyzers and metal–air batteries

DOI: 10.1039/d2ya00153e

Zinoy Manappadan, Kaliaperumal Selvaraj*, 

ChemistrySelect, 2022, Vol. 7, Issue 30. 

Electrochemically tuned synergistic nano interface of Ni(OH)2- NiO(OH)/NixP tertiary heterojunction for enhanced and durable alkaline water splitting. 

DOI: 10.1002/slct.202201171

Suman K. Jhajharia, Shashaank Gupta, Zinoy M, Kaliaperumal Selvaraj, M. K. Padmanabhan, Roop L. Mahajan

Applied Surface Science, 2022, 152160

Surface alteration driven bi-functional catalytic activity of alkaline niobate N doped graphene composite for exalted oxygen electrochemistry. 

doi.org/10.1016/j.apsusc.2021.152160. 

Kailash Singh, Kaliaperumal Selvaraj*

Advanced Materials, 2022

Tensile nanostructured earth-abundant transition metal-based bifunctional water electrolysis catalyst surpassing Ru∥Pt standard catalytic limit

Under Submission

Kunda Samdani, Kailaperumal Selvaraj*

New Journal of Chemistry, 2022

Hollow flower-like Ni LDH/Fe3O4/MoO3 composite for efficient and durable hydrogen production via urea electrolysis

Under submission

Manoj S, Kaliaperumal Selvaraj*

Nanoscale, 2022

Enhancing the electrocatalytic activity of MoS2-NixSy towards the efficient hydrogen evolution reaction

Under submission

Thillai Govindaraja Senthamaraikannan*, Selvaraj Kaliaperumal and Sailaja Krishnamurty*

Front. Chem., 2021. 

Role of Chemical Structure of Support in Enhancing the Catalytic Activity of a Single Atom Catalyst Toward NRR: A Computational Study

https://doi.org/10.3389/fchem.2021.733422

Suman Kumari Jhajhria, Kaliaperumal Selvaraj*

FlatChem, 2021

Molecularly engineered graphene oxide anchored metal organic assembly: An active site economic bi-functional electrocatalyst

DOI: 10.1016/j.flatc.2021.100269

Thillai Govindaraja Senthamaraikannan, Sailaja Krishnamurty, Kalaiperumal Selvaraj*

New Journal of Chemistry, 2021

Graphene-based frustrated Lewis pairs as a bifunctional catalyst for CO2 reduction via dissociative chemisorption of molecular H2: a periodic density functional perspective. 

DOI:10.1039/d1nj00970b

Zinoy Manappadan, Shubham Kumar, Krati Joshi, Thillai Govindaraja, Sailaja Krishnamurty, Kaliaperumal Selvaraj*

Journal of Hazardous Materials, 2020

Unravelling the distinct surface interactions of modified graphene nanostructures with methylene blue dye through experimental and computational approaches

DOI: doi.org/10.1016/j.jhazmat.2019.121755

Suman Kumari Jhajharia, Zinoy Manappadan, Kaliaperumal Selvaraj*

ChemElectroChem, 2019

Exploring battery type ZnO/ZnFe2O4 spheres-3D graphene electrode for supercapacitor: Advantage of yolk-shell over solid structure

DOI: doi.org/10.1002/celc.201901269

Pragnya paramita Samal; Krati Joshi; Selvaraj Kaliaperumal; Sailaja Krishnamurty

Computational and Theoretical Chemistry, 2019

Probing the catalytic activity of pristine and doped Pd and Ni metal clusters towards H2O molecule

DOI: doi.org/10.1016/j.comptc.2019.112624

Anushree Srivastava, Kaliaperumal Selvaraj, Kumar Suranjit Prasad*

Nanoparticles Based Adsorbent for Removal of Arsenic from Aqueous Solution

Asian Journal of Water, Environment and Pollution, Vol. 16, No. 1, pp. 97–103, 2019

DOI: 10.3233/AJW190011

Prasad, Rajendra; Yadav, Amit;  Gorain , Mahadeo; Chauhan, Deepak; Kundu, Gopal; Srivastava, Rohit; Selvaraj, Kaliaperumal*

ACS Appl. Bio. Mater. 2019, 2, 8, 3312-3320, 2019

Graphene Oxide Supported Liposomes as Red Emissive Theranostics for Phototriggered Tissue Visualization and Tumor Regression

DOI: doi.org/10.1021/acsabm.9b00335

Rajendra Prasad, Sachin Agawane, Deepak Chauhan, Rohit Srivatsava, Kaliaperumal Selvaraj*

Bioconjugate Chem. 2018, 29, 12, 4012-4019, 2018

In Vivo Examination of Folic Acid-Conjugated Gold-Silica Nanohybrids as Contrast Agents for Localized Tumor Diagnosis and Biodistribution

DOI: doi.org/10.1021/acs.bioconjchem.8b00522

Deepak Kumar,  Thillai Govindaraja Senthamarai Kannan,  Sailaja Krishnamurty,  Kaliaperumal Selvaraj, Sourav Pal

Physical Chemistry Chemical Physics, 2018

Dissociative Chemisorption of Hydrogen Molecule on Defective Graphene Supported Aluminium Clusters: A Computational Study

DOI: DOI: 10.1039/C8CP05711G

Deepak S. Chauhan, Rajendra Prasad, Janhavi Devrukhkar, Kaliaperumal Selvaraj,* Rohit Srivastava*

Bioconjug Chem 2018, 19;29(5):1510-1518, 2018

Disintegrable NIR Light Triggered Gold Nanorods Supported Liposomal Nanohybrids for Cancer Theranostics

DOI: 10.1021/acs.bioconjchem.7b00801

Nilesh V Rathod, Krati Joshi, Ankita S Jadhav, Vrashali S Kalyani, Kaliaperumal Selvaraj, Dipalee D Malkhede

Polyhedron, 2017, 137, 207, 2017

A novel interaction study of Th (IV) and Zr (IV) with 4-sulfonatocalix [6] arene: Experimental and theoretical investigation

DOI: 10.1016/j.poly.2017.08.026

Pallavi Rani, Suman Kumari Jhajharia,  Kaliaperumal Selvaraj

New J. Chem., 2017, 41, 8390, 2017

A redox-mediated 3D graphene based nanoscoop

design for ultracapacitor applications

DOI: 10.1039/c7nj01461a

Diganta Bhuyan, Kaliaperumal Selvaraj, Lakshi Saikia

Microporous and Mesoporous Materials, 241, 266-273, 2017

Pd@SBA-15 nanocomposite catalyst: Synthesis and efficient solvent-free semi hydrogenation of phenylacetylene under mild conditions

https://doi.org/10.1016/j.micromeso.2016.12.025

Rajendra Prasad,  Sandhya Aiyer, Deepak S. Chauhan, Rohit Srivastava, Kaliaperumal Selvaraj

Nanoscale, 2016, 8, 4537, 2016

Bioresponsive carbon nano-gated multifunctional mesoporous silica for cancer theranostics

DOI: 10.1039/c5nr06756a

Suman K Jhajharia,  Kaliaperumal Selvaraj

Nanoscale, 2015

Non-templated ambient nanoperforation of graphene: A novel scalable process and its exploitation for energy and environmental applications

DOI: 10.1039/C5NR05715A

Krati Joshi, Sailaja Krishnamurty, Iksha Singh,  Kaliaperumal Selvaraj

Molecular Simulations, 2015

A DFT based assay for tailor-made terpyridine ligand–metal complexation properties

DOI: 10.1080/08927022.2015.1067368

Kumar Suranjit Prasad, Kaliaperumal Selvaraj et. al., 

Applied Biochemistry and Biotechnology, 2015

Microbial selenium nanoparticles (SeNPs) and their application as a sensitive hydrogen peroxide biosensor

DOI 10.1007/s12010-015-1814-9

Kumar Suranjit Prasad, Pooja Gandhi, Kaliaperumal Selvaraj

Applied Surface Science 317 (2014) 1052–1059, 2014

Synthesis of green nano iron particles (GnIP) and their application in adsorptive removal of As(III) and As(V) from aqueous solution

Kumar Suranjit Prasad, Tapan Amin, Saloni Katuva, Madhu Kumari, Kaliaperumal Selvaraj

Arabian Journal of Chemistry, 2014

Synthesis of water soluble CdS nanoparticles and study of their DNA damage activity

DOI: 10.1016/j.arabjc.2014.05.033

Joshi, Krati; Krishnamurty, Sailaja; Singh, Iksha; Selvaraj, Kaliaperumal;

Inorganic Chimica Acta, Manuscript ID: ICA-D-14-00830, under review, 2014

Mutable Coordinating Forces in Tailored Terpyridine Ligands on Tweaking its Molecular Electronics: A Density Functional Theory Based Realization.

Kumar Suranjit Prasad, Kaliaperumal Selvaraj

Biol. Trace. Elem. Res., 2014

Biogenic Synthesis of Selenium Nanoparticles and Their Effect on As(III)-Induced Toxicity on Human Lymphocytes

DOI 10.1007/s12011-014-9891-0

Parul Dubey, Kaliaperumal Selvaraj, Asmita Prabhune

World. J. Pharm. Pharmaceut. Sci., Vol 2, Iss.3, 1107-1133, 2013

Sophorolipids: In self-assembly and nanomaterials synthesis

Rajini A, Muralasetti N, Kaliaperumal Selvaraj, Ingala Ajit Kumar Reddy, Venkatathri N

Materials Research, 16(1): 181-189, 2013

A Novel Vanadium n-propylamino Phosphate Catalyst: Synthesis, Characterization and Applications

P.S. Niphadkar, D.S. Bhange, K. Selvaraj, P.N. Joshi

Chem. Phys. Lett., 2012

Thermal expansion properties of Stannosilicate molecular sieve with mfi type structure

http://dx.doi.org/ 10.1016/j.cplett. 2012.08.023

K.S. Prasad, P. Vyas, V. Prajapati, P. Patel, Kaliaperumal Selvaraj

Micro & Nano Letters, 2012, Vol. 7, Iss. 1, pp.1-4

Biomimetic synthesis of selenium nanoparticles using cell-free extract of

Microbacterium sp. ARB05

Folliet, N; Roiland, C; Begu, S; Aubert, A; Mineva, T; Goursot, A; Selvaraj, K; F; Azais, T. et. al.,

J. Am. Chem. Soc., 133 (42), pp 16815–16827, 2011

Atomic investigation of a bio-Inorganic interface by combining solid state NMR and first principles calculations

Kumar Suranjit Prasad, Darshit Pathak, Ankita Patel, Palak Dalwadi, Ram Prasad, Pradip Patel, Kaliaperumal Selvaraj

Afr. J. Biotechnol., Vol. 10(41), pp. 8122-8130, 2011

Biogenic synthesis of silver nanoparticles using Nicotiana tobaccum leaf extract and study of their antibacterial effect

A. Rajini, K. Selvaraj, M. Nookaraju, I.A.K. Reddy, N. Venkatathri

Bull. Cata. Soc. India., Vol. 10 (3), 7-14, 2011

Synthesis, Characterization and Catalytic Applications of Titanium n-propylamino phosphate

Kiran Pradhan, Kaliaperumal Selvaraj, Ashis K. Nanda

Chem. Lett., vol 39, No. 10, pp, 1078, 2010

A Convenient Approach to the Synthesis of Different Types of Schiff?s Bases and Their Metal Complexes

Kaliaperumal Selvaraj*

Micropor. Mesopor. Mater., 135, 82–89, 2010

Transformation of chemically fine tuned zeolite A precursor into dense lithium aluminosilicates – A comprehensive phase evolution and sintering study

Kaliaperumal Selvaraj *, Reshmi Kurian

Micropor.Mesopor. Mater. 122 , 105–113

Dependence of 29Si NMR chemical shielding properties of precursor silicate species, Q0 on its local structure at the pre-nucleation stages of zeolite synthesis –  A DFT based computational correlation

2009