Gulnaz Perveen,   A. Shrivastava, U. Kumar,   N. Singh,   H. V. Annadata,  Biplab Ghosh,   Mukul Gupta, and  Indrajit Sinha* 

Visible light photocatalytic ammonia production on single Cu entities attached to nitrogen-deficient functionalized BN sheets

Nanoscale

18[5]

2751-2765

05th February 2026

Neha Kamal, A. K. De, Anshu Shrivastava and Indrajit Sinha*

Investigating catechol adsorption to the ZnO (1010)
surface with and without an oxygen vacancies
using the DFT-D2 method

RSC Advances

16[6]

4937-4945

January 2026

Pushpa Gautam, Maheswari Yadav, A. K. De, Indrajit Sinha, A. Meshram,
C. K. Behera, and K. K. Singh

Recovery of copper oxide nanostructures
from waste printed circuit boards for environmental
remediation: synthesis, characterization,
and photocatalytic application investigation

J Mater Sci: Mater Electron

36

2115

November 2025

Uttam Kumar, M. R. Pai, Indrajit Sinha*

Evolution of H₂O₂-producing heterogeneous photocatalysts

Journal of Environmental Chemical Engineering

13[5]

117357

October, 2025

U. Kumar, J. Kuntail, S. Pal, M. R. Pai, X. Krokidis, A. Bick, and Indrajit Sinha*

Silver nanostructure-loaded starch functionalized magnetite (Ag/s-Fe₃O₄) photocatalyst for H₂O₂ production: experimental and molecular dynamics studies

Nanoscale

17[31]

18092-18104

August, 2025

Nivedita Singh and Indrajit Sinha*

Development of Cu, Mn Codoped BiVO₄ (Cu_xMn_0.03‑xBi_1−xV_0.97+xO4)
Photocatalyst for Photo-Fenton Degradation of Ciprofloxacin

Langmuir

41[23]

14935–14945

June 2025

Anshu Shrivastava and Indrajit Sinha*

Simultaneous adsorption of organic pollutants on Mo-doped NiFe2O4
nanoparticles: Experimental and computational studies

Journal of Molecular Liquids

430

127827

July 2025

Anshu Shrivastava, Uttam Kumar, and Indrajit Sinha*

Photo-Fenton degradation on Mo-doped NiFe₂O₄
photocatalyst

Dalton Trans., 2025, 54,
8586

54

8586

June 2025,

Deepak Sachan, N. Singh, U. Kumar, J. Kuntail, Indrajit Sinha, Randhir Singh*

Design of medium entropy oxide for photo-Fenton catalytic degradation
of tetracycline

Molecular Catalysis

582

 115187

July 2025

Uttam Kumar, Emmanuel Picheau, Huanran Li, Zihan Zhang, Takayuki Kikuchi, Indrajit Sinha*,
and Renzhi Ma*

Constructing a 2D Heterointerface of MoS2/MnIn2S4 with Improved
Interfacial Charge Carrier Transfer for Photocatalytic H2O2
Production

ACS Appl. Energy Mater.

8

3107−3119

February 2025 

NS Anuraag, U Kumar, S Pradhan, SK Shaw, A Sharma, Indrajit Sinha, NK Prasad

Rhombohedral phase high entropy alloy of AlMnCuZnBi as a photo-Fenton catalyst for methyl orange degradation

Journal of Alloys and Compounds

1010

177142

January 2025

K. Sanket, U. Kumar, Indrajit Sinha*, Shantanu K. Behera*

An oxycarbide-derived-carbon supported nickel/copper tungstate ternary composite for enhanced electrocatalytic activity towards oxygen evolution reaction

Dalton Transactions 

54[2]

797-810

January 2025

S. Mishra, N. Kamal, A. K. De, Indrajit Sinha, A. P. Panda, R. K. Dey*, Rajaram Bal*

Use of red-mud (MRM) in industrial catalysis: Selective conversion of biomass derived furfural to furfuryl alcohol using Ni-MRM - preparation, characterization and activity studies - elucidating mechanism of hydrogenation using DFT 

Molecular Catalysis

569

114617

December 2024

Smita Singh, Anshu Shrivastava, Varsha Singh, Vikram Rathour, Indrajit Sinha, Vellaichamy Ganesan*

Unveiling Enhanced Oxygen Reduction in Multi-walled Carbon Nanotube-supported MnCo₂O₄: Experimental and Theoretical Insights into Tin substitution for Octahedral Cobalt

ACS Applied Energy Materials 

7[22]

10417-10427

November 2024 

R. V. Singh, M. R. Pai*, A. M. Banerjee, Anshu Shrivastava, Uttam Kumar, Indrajit Sinha, B. Dutta, P. A. Hassan, R. S. Ningthoujam, R. Ghosh, S. Nath, R. K. Sharma, Jagannath, R. D. Bapat

Interfacial Engineering over Pt-Calcium Ferrite/2-D Carbon Nitride Nanosheets p-n Heterojunctions for Superior Photocatalytic Properties

ACS Omega

Published online

2024 

A. Shrivastava, U. Kumar, and Indrajit Sinha*

Design and development of the AgI/NiFe₂O₄ photo-Fenton photocatalyst

ACS Industrial and Engineering Chemistry Research

Advance Article

August 2024

Maheswari Yadav, U. Kumar, A. K. De, Indrajit Sinha*

Neutral pH Fenton and photo-Fenton activity of Mo-doped iron-pyrite particles

Physical Chemistry Chemical Physics

26

22442

August 2024 10.1039/D4CP00793J

N. S. Anuraag, Uttam Kumar, Indrajit Sinha, N. K. Prasad

Nanoparticles of MnFeNiCuBi high entropy alloy as catalyst for Fenton and photo-Fenton decomposition of p-nitrophenol

Inorganic Chemistry Communications

167

112843

September 2024

Neha Jatav, Uttam Kumar, Anshu Shrivastava, Nivedita Singh, Indrajit Sinha*

Fabrication of Ag₂MoO₄/CuWO₄ Nanocomposite Photocatalyst for the Degradation of Rhodamine B

ChemistrySelect

9[31]

e202400963

August 2024

U. Kumar, K. Sanket, R. Mandal, A. K. De, A. Shrivastava, S. K. Behera*, and Indrajit Sinha*

Silver nanoparticle decorated NiFe₂O₄/CuWO₄

Physical Chemistry Chemical Physics

26(20)

14883-14897

28 May 2024 DOI

Nivedita Singh, Uttam Kumar, Neha Jatav, and Indrajit Sinha*

Photocatalytic Degradation of Crystal Violet on Cu, Zn Doped BiVO₄ Particles

Langmuir

40(16)

8450-8462

10 April 2024

https://doi.org/10.1021/acs.langmuir.3c04039

Uttam Kumar, Anshu Shrivastava, and Indrajit Sinha*

In situ use of photocatalytically produced H₂O₂ for Fenton degradation of organic pollutants

Catalysis Science & Technology

14

2668-2683

21 May 2024

D. Kumar, N.S. Anuraag, C. Mohapatra, U. Kumar, Debashish Sarkar, M. Vasundhara, I. Sinha, C. Upadhyay, N.K. Prasad

r-GO coated magnetic high entropy alloy/oxide nanocomposites as highly efficient Fenton and photo-Fenton catalysts

Ceramics International

50[7]

12146-12150

1st April 2024

S. Singh, A. Shrivastava, D. K. Singh, M. Yadav, V. Singh, V. Rathour, A. Tiwari, Indrajit Sinha*, V. Ganesan*

ZnMn₂O₄ spinel nanocrystals-decorated multi-walled carbon nanotubes for oxygen reduction: Experimental and theoretical studies on the strong coupling facilitated four-electron selectivity

International Journal of Hydrogen Energy

56

188

22nd February 2024

A. Khandelwal, D. Khan, J. Kuntail, Indrajit Sinha*

Ag-based bimetallic clusters as catalysts for p-nitrophenol reduction by glycerol: A DFT investigation

International Journal of Quantum Chemistry

124[1]

e27237

5th January 2024

DOI:10.1002/qua.27237

Uttam Kumar and Indrajit Sinha*

Visible light photo-Fenton degradation of p-nitrophenol on Ag/Fe₃O₄/WO₃ nanocomposites: Experimental and molecular dynamics investigations

Journal of Environmental Chemical Engineering

11[6]

111280

December 2023

S. Pradhan, N. S. Anuraag, N. Jatav, Indrajit Sinha, and N. K. Prasad

Magnetic Ni@C nanoadsorbents for methyl orange removal from water

Enivronmental Science and Pollution Research

30

118634-118646

December 2023

Anshu Shrivastava, Jyoti Kuntail, Uttam Kumar, Indrajit Sinha*

Co-adsorption mechanism of organic pollutants on NiFe₂O₄ /GO nanostructures: Experimental and molecular dynamics studies

Journal of Molecular Liquids

389

122932

November 2023

P. Gautam, A. K. De, M. D. Rao, Indrajit Sinha, 

C. K. Behera, K. K. Singh

Waste remediation: Low‑temperature synthesis of hybrid Cu(OH)2/CuO and CuO nanostructures from spent printed circuit boards and their dye degradation studies

Environmental Science and Pollution Research

Published online in August 2023

Shaili Pal, Ajay Kumar, Uttam Kumar, Rajiv Prakash, Indrajit Sinha*

Visible light photo-Fenton catalytic properties of starch functionalized α-FeOOH/β-FeOOH/Cu2O p-n-p heterojunction nanostructures

Materials Science in Semiconductor Processing

167

107766

August 2023 DOI: 

S Kumar, J Kuntail, D K Sahu, V S Yadav and I Sinha*

Green synthesis of curcumin functionalized Au nanoparticles by visible light photo-reduction

Indian J Phys

97(9)

2727–2733

August 2023 DOI:10.1007/s12648-023-02617-y

P. Gautam, A. K. De, Indrajit Sinha, C. K. Behera, K. K. Singh

Genesis of copper oxide nanoparticles from waste printed circuit boards and evaluation of their photocatalytic activity

Environmental Research

229

115951

15 July 2023 DOI: 10.1016/j.envres.2023.115951

U. Kumar, A. Shrivastava, A. K. De, Mrinal R. Pai , and Indrajit Sinha*

Fenton reaction by H₂O₂ produced on a magnetically recyclable Ag/CuWO₄/NiFe₂O₄ photocatalyst

Catalysis Science and Technology

13

2432

March 2023 DOI: 10.1039/d3cy00102d

D. K. Singh, M. N. Karuppusamy, A. Shrivastava,
T. Palanisamy, Indrajit Sinha, and V. Ganesan

Sulfonic Acid Functionalization-Boosted Ultrafast, Durable, and
Selective Four-Electron Oxygen Reduction Reaction: Evidenced by
EC-SHINERS and DFT Studies

ACS Catalysis

13

4155-4167

March 2023 Link: https://pubs.acs.org/doi/10.1021/acscatal.3c00719

S. K. Shaw et al.

Assessment of ionic site distributions in magnetic high entropy oxide of
(Mn_0⋅2Fe_0⋅2Co_0⋅2Ni_0⋅2Zr_0.2)₃O₄ and its catalytic behaviour

Physica B

652

414653

1st March 2023 Link: https://authors.elsevier.com/c/1gPOr3HWveHNA8

M. Suthar, · A. K. De, A. Indra, Indrajit Sinha, P. K. Roy

Synthesis and characterization of titanium‑substituted nanocrystalline
Co2‑Y
hexaferrite: magnetically retrievable photocatalyst
for treatment of methyl orange contaminated wastewater

Environmental Science and Pollution Research

30

44457–44479

24th January 2023 Link:https://link.springer.com/article/10.1007/s11356-023-25432-8

Arup Kumar De, Neha Kamal, Uttam Kumar, Neha Jatav and Indrajit Sinha*

The bandgap of sulfur-doped Ag₂O nanoparticles

Phys. Chem. Chem. Phys.

25

2320

2023 DOI: 10.1039/d2cp05236a

Arup Kumar De, Uttam Kumar, Neha Jatav and Indrajit Sinha*

Cd-doped Ag₂O/BiVO₄ visible light Z-scheme photocatalyst for efficient ciprofloxacin degradation

RSC Advances

12

35639–35648

December 2022 Link: https://pubs.rsc.org/en/content/articlehtml/2022/RA/D2RA07200A

Jyoti Kuntail, Uttam Kumar, Indrajit Sinha*

Insight into photo-Fenton reaction mechanism on a magnetite-GO nanocomposite: Computational and experimental investigations

Molecular Catalysis

528

112491

August 2022 Download Link:
https://authors.elsevier.com/a/1fRbi8nM6jCqT1

D. Khan, J. Kuntail, Indrajit Sinha *

Mechanism of phenol and p-nitrophenol adsorption on kaolinite surface in aqueous medium: A molecular dynamics study

Journal of Molecular Graphics and Modelling

116

108251

November 2022
https://authors.elsevier.com/a/1fF2L3ub-V2%7EMT

N. Jatav, A. Shrivastava, A. K. De, Indrajit Sinha*

Experimental and molecular dynamics investigations on Z-scheme visible light Ag₃PO₄/CuWO₄ photocatalysts for antibiotic degradation

Journal of Environmental Chemical Engineering

10[3]

107975

June 2022 Download link: https://authors.elsevier.com/a/1fDNl_oKrieR6G

A. K. De and Indrajit Sinha*

Synergistic effect of Ni doping and oxygen vacancies on the visible light photocatalytic properties of Ag₂O nanoparticles

Journal of Physics and Chemistry of Solids

167

110733

August 2022, Download link: https://authors.elsevier.com/a/1euEZ55XRLMZF

M.Shukla, S. Pal and Indrajit Sinha*

Ionic Liquid Functionalized Cu₂O nanoparticles

Journal of Molecular Structure

1262

132961

15th August 2022, Download link: https://authors.elsevier.com/c/1etay54JURDOX

M. K. Singh, A. Verma, J. Basu, I. Sinha....R. K. Mandal

Rice extract assisted green synthesis of Au nanoparticles: Catalytic and SERS activities

Surface and Review Letters

29[7]

2250090

11th April 2022 Link: https://www.worldscientific.com/doi/10.1142/S0218625X22500901

U. Kumar, J. Kuntail, A. Kumar, R. Prakash, M. Pai, Indrajit Sinha* 

In-situ H₂O₂ production for tetracycline degradation on Ag/s-(Co₃O₄/ NiFe₂O₄) visible light magnetically recyclable photocatalyst

Applied Surface Science

589

153013

1st July 2022 Download link:
https://authors.elsevier.com/a/1ej2WcXa-0iGh

S. Pal, A. Kumar, S. Kumar, A. K. De, R. Prakash, and Indrajit Sinha*

Visible Light Photocatalysis on Magnetically Recyclable Fe₃O₄/Cu₂O Nanostructures

Catalysis Letter

152

3259-3271

Published online 22nd January 2022
Article link:https://rdcu.be/cFtGE

P. Gautam, C. K. Behera, Indrajit Sinha, G. Gicheva, K. K. Singh

High added-value materials recovery using electronic scrap-transforming waste to valuable products

Journal of Cleaner Production

330

129836

Jan 2022 Download link: 
https://authors.elsevier.com/c/1e9Gh3QCo9bRdf

Name of the
PhD Research Student

Year of Admission

Research Area

Neha Kamal

July 2019

Plane-wave DFT calculations for designing adsorbents/sensors/catalysts.

Nivedita Singh

Dec 2019

Doped photocatalysts

Maheswari Yadav

July 2022

Experimental and computational approaches for the development of Fenton and photo-Fenton catalysts

Gulnaz Perveen

December 2022

Photocatalysis: Experimental and computational approaches

Rahul Arya

December 2023

Adsorption and photocatalysts: Experimental and computational approaches

Keshnath Yadav

December 2023

Doped photocatalysts

Khushbu Kumari

December 2024

Adsorption and photocatalysts

Ankita Singh

July 2025

Photocatalysis: Experimental and computational approaches

S. No.

Name of the candidate

Title of the Thesis

Year

Supervisor/Co-supervisor

10.

Uttam Kumar

Heterostructure photocatalysts for H₂O₂ production

2025

Supervisor

9.

Anshu Shrivastava

Design and development of NiFe₂O₄-based nanomaterials for the removal of organic pollutants from their aqueous solutions 

2025

Supervisor

8.

Neha Jatav

CuWO₄-based composite photocatalysts for the degradation of organic pollutants

2023

Supervisor

7.

Arup Kumar De

Experimental and computational studies on doped-Ag₂O photocatalysts

2022

Supervisor

6.

Jyoti Kuntail

Adsorption and Catalysis on Magnetite, Graphene Oxide, and their Composites

2021

Supervisor

5. 

Shaili Pal

Iron oxide-based p-n heterojunction photocatalysts

2020

Supervisor

4.

Sunil Kumar

Z-scheme Photocatalytic Properties of Curcumin Functionalized Nanocomposites

2019

Supervisor

3.

Alkadevi Verma

Catalytic properties of nanomaterials based on Ag, Cu and their bimetallics

2017

Supervisor

2. 

P. N. Singh

Studies on adsorption and catalytic properties of starch functionalized iron oxide nanoparticles

2016

Co-supervisor

1.

Manjeet Singh

Synthesis of Ag, Cu, and Ag-Cu nanoparticles in the presence of different stabilizers: Aggregation and LSPR studies

2010

Supervisor

S.No.

Author(s)

Title

Publication details

Publisher

3.

Indrajit Sinha* and Arup Kumar De

“An overview of synthesis techniques for preparing doped
Photocatalysts”, Chapter 1 in book entitled “Nano-Materials as
Photocatalysts for
Degradation of
Environmental Pollutants
Challenges and Possibilities”

Paperback ISBN: 9780128185988
DOI: 10.1016/B978-0-12-818598-8.00001-8

Imprint: Elsevier
Published Date: 2nd December 2019

2.

Alkadevi Verma, Madhulata Shukla and Indrajit Sinha*

In book entitled: Nanocatalysts
Chapter 1. Salient Features of Nanocatalysis

DOI:10.5772/intechopen.86209

Publisher: Intech Open
July 31st 2019

1.

Madhulata Shukla and Indrajit Sinha

In book entitled: DFT Calculations Chapter 7 : Catalytic activation of PVP-stabilized Gold/Silver Cluster on p-nitrophenol reduction: A DFT calculation

http://dx.doi.org/10.5772/intechopen.72097

Publisher: Intech Open
May 31st 2018

Title
of the Book

Publisher and publication details

Nanocatalysts

Published: July 31st 2019
ISBN: 978-1-78984-160-2
Print ISBN: 978-1-78984-159-6
eBook (PDF) ISBN: 978-1-78985-046-8
Copyright year: 2019

S. No.

Sponsoring Agency

Title

Fund sanctioned

Period

PI/Coordinator

1.

BRNS

Development of magnetically recyclable visible light photocatalysts for H₂O₂ production.

Rs. 34.05 Lakh

2019-2023

PI

2.

AICTE

Quick revision of the Model Curriculum in Undergraduate Engineering ....AICTE colleges

Rs. 11.52 Lakhs

2017

Overall Coordinator

3. 

MHRD GIAN workshop

Nanochemistry: From preorganized molecular architectures to Functional Materials

$8000

December 2016

Coordinator

4.

IIT(BHU) Institute Research Project

Ag, Cu and Ag-Cu
nanoparticle catalyzed p-nitrophenol reduction reaction: Theoretical and experimental
studies

Rs. 15 Lakhs

2016

PI

5.

UGC-UPE Focused Area I of UGC UPE scheme

Synthesis of (Ag-Cu) bimetallic/alloy nanostructures: Aggregation and LSPR studies

Rs. 0.825 Lakh

2013

PI

6.

SERC-DST Young Scientist Fast Track project

Simulation of microstructural evolution ....

Rs. 4.26 Lakhs

2003-2006

PI

S. No.

Sponsoring agency

Title of the Project

Funds sanctioned

Period

Co-PI or Mentor or both

1.

AICTE TEQIP-CRS scheme

Noble multimetallics/ZnO photocatalysts for hydrogen production from green sources

Rs. 13 Lakh

June 2019 – March 2021

Co-PI and Mentor

2.

BRNS

Development of some Organo-functionalized mesoporous silica adsorbents for removal of radionuclides from aqueous waste

Rs. 28.37 Lakh

Oct 2012 –2017

Co-PI

3.

AICTE (RPS scheme)

Synthesis and characterization of ultra-fine particles in Ag, Au, Cu and their alloys

Rs. 8.80 Lakh

May 2009 to April 2012

Co-PI