Dr. Manzoor Ahmad Dar

Assistant Professor

Curriculum Vitae

Contact Info

  • manzoor.dar@islamicuniversity.edu.in ; manndar22@gmail.com
  • 7006540997

Research Links

Overview

39

Publications

9

Conferences

0

Books

0

Book Chapters

5

Projects

8

FDP/ Workshops

3

Scholars

0

Patents

Overview

39

Total Publications

AuthorTypeTotal
First Author4
Corresponding Author27
Co-Author8
IndexingTotal
UGC-CARE List Group II (Web of Science Only)5
UGC-CARE List Group II (Scopus Only)6
UGC-CARE List Group II (Both Scopus and Web of Science)26
UGC-CARE List Group I1

Publication Details

 
1. Unraveling the Mechanism of Oxygen Electrocatalysis on Transition Metal-Free Single-Atom-Doped Holey Graphyne
Acceptance Date 19-09-2025
Publication Date Online 19-09-2025
Publication Date 19-09-2025
DOI https://doi.org/10.1002/cphc.202500167
Number of Authors 3
ISSN 1439-4235
EISSN 1439-7641
Journal CHEMPHYSCHEM
Listed In Thomson True
Impact Factor 2.2
Source of Impact Factor Thomson Reuters
UGC Care List UGC-CARE List Group II (Both Scopus and Web of Science)
Volume Number 26
Issue Number 18
Web Link https://doi.org/10.1002/cphc.202500167
Web Link Journal https://chemistry-europe.onlinelibrary.wiley.com/journal/14397641
Proof
Author Type Corresponding Author
Author Serial 3
Affiliating Institute Islamic University of Science and Technology
2. Single-Atom-Functionalized Covalent Organic Frameworks for Efficient CO2 Conversion: Electronic Structure Insights from First-Principles Simulations
Acceptance Date 17-09-2025
Publication Date Online 17-09-2025
Publication Date 17-09-2025
DOI https://doi.org/10.1021/acs.jpcc.5c04099
Number of Authors 3
ISSN 1932-7447
EISSN 1932-7455
Journal JOURNAL OF PHYSICAL CHEMISTRY C
Listed In Thomson True
Impact Factor 3.2
Source of Impact Factor Thomson Reuters
UGC Care List UGC-CARE List Group II (Both Scopus and Web of Science)
Volume Number 129
Issue Number 39
Web Link https://doi.org/10.1021/acs.jpcc.5c04099
Web Link Journal https://pubs.acs.org/page/jpccck/about.html
Proof
Author Type Corresponding Author
Author Serial 3
Affiliating Institute Islamic University of Science and Technology
3. Driving CO2 Conversion to C1 and C2 Products on Single-Atom Catalysts: Recent Experimental and Theoretical Insights
Acceptance Date 15-09-2025
Publication Date Online 15-09-2025
Publication Date 15-09-2025
DOI https://doi.org/10.1021/acsami.5c11447
Number of Authors 3
ISSN 1944-8244
EISSN 1944-8252
Journal ACS APPLIED MATERIALS & INTERFACES
Listed In Thomson True
Impact Factor 8.2
Source of Impact Factor Thomson Reuters
UGC Care List UGC-CARE List Group II (Both Scopus and Web of Science)
Volume Number 17
Issue Number 38
Web Link https://doi.org/10.1021/acsami.5c11447
Web Link Journal https://pubs.acs.org/journal/aamick
Proof
Author Type Corresponding Author
Author Serial 3
Affiliating Institute Islamic University of Science and Technology
4. Boosting the CO2 reduction activity of Cu double-atom catalysts through coordination environment engineering
Acceptance Date 03-08-2025
Publication Date Online 04-08-2025
Publication Date 04-08-2025
DOI https://doi.org/10.1039/D5SE01004G
Number of Authors 3
ISSN NA
EISSN 2398-4902
Journal SUSTAINABLE ENERGY & FUELS
Listed In Thomson True
Impact Factor 4.1
Source of Impact Factor Thomson Reuters
UGC Care List UGC-CARE List Group II (Both Scopus and Web of Science)
Volume Number 0
Issue Number 0
Web Link https://doi.org/10.1039/D5SE01004G
Web Link Journal https://www.rsc.org/publishing/journals/sustainable-energy-and-fuels
Proof
Author Type Corresponding Author
Author Serial 3
Affiliating Institute Islamic University of Science and Technology
5. Exploring Group Interaction Patterns of Meso-Substituted Porphyrinoids on the Alkaline Electrochemical Water Splitting
Acceptance Date 20-06-2025
Publication Date Online 20-06-2025
Publication Date 20-06-2025
DOI https://doi.org/10.1021/acs.langmuir.5c01277
Number of Authors 8
ISSN 0743-7463
EISSN 1520-5827
Journal LANGMUIR
Listed In Thomson True
Impact Factor 3.7
Source of Impact Factor Thomson Reuters
UGC Care List UGC-CARE List Group II (Both Scopus and Web of Science)
Volume Number 41
Issue Number 26
Web Link https://doi.org/10.1021/acs.langmuir.5c01277
Web Link Journal https://pubs.acs.org/page/langd5/about.html
Proof
Author Type Corresponding Author
Author Serial 7
Affiliating Institute Islamic University of Science and Technology
6. Design of a Porous Silver Metal–Organic Cage with Accessible Ag(I) Active Sites for Enhanced Hydrogen Evolution Reaction in Alkaline Water
Acceptance Date 22-05-2025
Publication Date Online 22-05-2025
Publication Date 22-05-2025
DOI https://doi.org/10.1021/acsaem.5c00877
Number of Authors 11
ISSN NA
EISSN 2574-0962
Journal ACS APPLIED ENERGY MATERIALS
Listed In Thomson True
Impact Factor 5.9
Source of Impact Factor Thomson Reuters
UGC Care List UGC-CARE List Group II (Both Scopus and Web of Science)
Volume Number 8
Issue Number 11
Web Link https://pubs.acs.org/doi/abs/10.1021/acsaem.5c00877
Web Link Journal https://pubs.acs.org/page/aaemcq/about.html
Proof
Author Type Co-Author
Author Serial 8
Affiliating Institute Islamic University of Science and Technology
7. Impact of hetero-atom doping on electronic structure and reactivity of anionic Al13− cluster: a combined density functional theory and global optimization investigation
Acceptance Date 21-03-2025
Publication Date Online 27-03-2025
Publication Date 27-03-2025
DOI https://doi.org/10.1007/s11224-025-02493-8
Number of Authors 6
ISSN 1040-0400
EISSN 1572-9001
Journal STRUCTURAL CHEMISTRY
Listed In Thomson True
Impact Factor 2.2
Source of Impact Factor Thomson Reuters
UGC Care List UGC-CARE List Group II (Both Scopus and Web of Science)
Volume Number 36
Issue Number 0
Web Link https://doi.org/10.1007/s11224-025-02493-8
Web Link Journal https://link.springer.com/journal/11224
Proof
Author Type Corresponding Author
Author Serial 6
Affiliating Institute Islamic University of Science & Technology
8. Unlocking the Electrocatalytic Potential of Sb2Se3 for HER via Cu Doping-Induced Phase Conversion and rGO Integration
Acceptance Date 26-03-2025
Publication Date Online 26-03-2025
Publication Date 26-03-2025
DOI doi.org/10.1021/acs.energyfuels.4c06119
Number of Authors 7
ISSN 0887-0624
EISSN 1520-5029
Journal ENERGY & FUELS
Listed In Thomson True
Impact Factor 5.0
Source of Impact Factor Thomson Reuters
UGC Care List UGC-CARE List Group II (Both Scopus and Web of Science)
Volume Number 39
Issue Number 14
Web Link https://pubs.acs.org/doi/full/10.1021/acs.energyfuels.4c06119
Web Link Journal https://pubs.acs.org/page/enfuem/about.html
Proof
Author Type Corresponding Author
Author Serial 5
Affiliating Institute Islamic University of Science and Technology
9. A Conjugated Porous Organic Polymer as a Metal-Free Bifunctional Electrocatalyst for Enhanced Water Splitting
Acceptance Date 17-02-2025
Publication Date Online 17-02-2025
Publication Date 17-02-2025
DOI https://doi.org/10.1002/chem.202500003
Number of Authors 8
ISSN 0947-6539
EISSN 1521-3765
Journal CHEMISTRY-A EUROPEAN JOURNAL
Listed In Thomson True
Impact Factor 3.7
Source of Impact Factor Thomson Reuters
UGC Care List UGC-CARE List Group II (Both Scopus and Web of Science)
Volume Number 31
Issue Number 20
Web Link https://chemistry-europe.onlinelibrary.wiley.com/doi/full/10.1002/chem.202500003
Web Link Journal https://chemistry-europe.onlinelibrary.wiley.com/journal/15213765/journal-metrics
Proof
Author Type Co-Author
Author Serial 6
Affiliating Institute Islamic University of Science and Technology
10. Unveiling the mechanism of CO2 electroreduction to C1 and C2 products of ordered double transition metal MXenes
Acceptance Date 14-10-2024
Publication Date Online 17-10-2024
Publication Date 17-10-2024
DOI https://doi.org/10.1039/D4SE00582A
Number of Authors 3
ISSN NA
EISSN 2398-4902
Journal SUSTAINABLE ENERGY & FUELS
Listed In Thomson True
Impact Factor 4.1
Source of Impact Factor Thomson Reuters
UGC Care List UGC-CARE List Group II (Both Scopus and Web of Science)
Volume Number 8
Issue Number 23
Web Link https://doi.org/10.1039/D4SE00582A
Web Link Journal https://www.rsc.org/publishing/journals/sustainable-energy-and-fuels
Proof
Author Type Corresponding Author
Author Serial 3
Affiliating Institute Islamic University of Science and Technology
11. Size and Morphology Dependent Activity of Cu Clusters for CO2 Activation and Reduction: A First Principles Investigation
Acceptance Date 11-09-2024
Publication Date Online 11-09-2024
Publication Date 11-09-2024
DOI https://doi.org/10.1002/cphc.202400442
Number of Authors 4
ISSN 1439-4235
EISSN 1439-7641
Journal CHEMPHYSCHEM
Listed In Thomson True
Impact Factor 2.3
Source of Impact Factor Thomson Reuters
UGC Care List UGC-CARE List Group II (Both Scopus and Web of Science)
Volume Number 0
Issue Number 0
Web Link https://chemistry-europe.onlinelibrary.wiley.com/doi/abs/10.1002/cphc.202400442
Web Link Journal https://chemistry-europe.onlinelibrary.wiley.com/journal/14397641
Proof
Author Type Co-Author
Author Serial 3
Affiliating Institute Islamic University of Science and Technology
12. Multistep screening of transition-metal-based homonuclear double-atom catalysts to unravel the electronic origin of their activity and selectivity challenges for nitrogen reduction
Acceptance Date 01-08-2024
Publication Date Online 02-08-2024
Publication Date 02-08-2024
DOI https://doi.org/10.1039/D4CY00480A
Number of Authors 2
ISSN NA
EISSN 2044-4761
Journal CATALYSIS SCIENCE & TECHNOLOGY
Listed In Thomson True
Impact Factor 4.4
Source of Impact Factor Thomson Reuters
UGC Care List UGC-CARE List Group II (Both Scopus and Web of Science)
Volume Number 14
Issue Number 0
Web Link DOI https://doi.org/10.1039/D4CY00480A
Web Link Journal https://www.rsc.org/journals-books-databases/about-journals/catalysis-science-technology
Proof
Author Type Corresponding Author
Author Serial 2
Affiliating Institute Islamic University of Science and Technology
13. Bioinspired Diiron Complex with Proton Shuttling and Redox-Active Ligand for Electrocatalytic Hydrogen Evolution
Acceptance Date 28-06-2024
Publication Date Online 10-07-2024
Publication Date 10-07-2024
DOI doi.org/10.1021/acs.inorgchem.4c01112
Number of Authors 9
ISSN 0020-1669
EISSN 1520-510X
Journal Inorganic Chemistry
Listed In Thomson True
Impact Factor 4.3
Source of Impact Factor Thomson Reuters
UGC Care List UGC-CARE List Group II (Scopus Only)
Volume Number 63
Issue Number 35
Web Link https://pubs.acs.org/doi/abs/10.1021/acs.inorgchem.4c01112
Web Link Journal https://pubs.acs.org/journal/inocaj
Proof
Author Type Corresponding Author
Author Serial 8
Affiliating Institute Islamic University of Science and Technology
14. Addressing the Activity and Selectivity Challenges for CO2 Reduction via Transition-Metal-Free Homo- and Hetero-Biatomic Catalysts Embedded in Two-Dimensional Networks
Acceptance Date 15-04-2024
Publication Date Online 15-04-2024
Publication Date 15-04-2024
DOI doi.org/10.1002/cctc.202400299
Number of Authors 2
ISSN 1867-3880
EISSN 1867-3899
Journal CHEMCATCHEM
Listed In Thomson True
Impact Factor 3.8
Source of Impact Factor Thomson Reuters
UGC Care List UGC-CARE List Group II (Scopus Only)
Volume Number 0
Issue Number 0
Web Link https://chemistry-europe.onlinelibrary.wiley.com/doi/abs/10.1002/cctc.202400299
Web Link Journal https://chemistry-europe.onlinelibrary.wiley.com/journal/18673899
Proof
Author Type Corresponding Author
Author Serial 2
Affiliating Institute Islamic University of Science and Technology
15. Computational identification of most potent atom pair catalysts for electrocatalytic nitrogen reduction reaction over hydrogen evolution reaction
Acceptance Date 05-02-2024
Publication Date Online 08-03-2024
Publication Date 08-03-2024
DOI doi.org/10.1016/j.ijhydene.2024.01.203
Number of Authors 5
ISSN 0360-3199
EISSN 1879-3487
Journal INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
Listed In Thomson True
Impact Factor 8.1
Source of Impact Factor Thomson Reuters
UGC Care List UGC-CARE List Group II (Scopus Only)
Volume Number 58
Issue Number 0
Web Link https://www.sciencedirect.com/science/article/abs/pii/S0360319924002258
Web Link Journal https://www.sciencedirect.com/journal/international-journal-of-hydrogen-energy
Proof
Author Type Co-Author
Author Serial 3
Affiliating Institute Islamic University of Science and Technology
16. Structure-directing interactions in the crystals of tertiary butyl carbazate based imines: A combined experimental and theoretical investigation
Acceptance Date 04-02-2024
Publication Date Online 07-02-2024
Publication Date 07-02-2024
DOI doi.org/10.1016/j.molstruc.2024.137724
Number of Authors 7
ISSN 0022-2860
EISSN NA
Journal Journal of Molecular Structure
Listed In Thomson True
Impact Factor 4.0
Source of Impact Factor Thomson Reuters
UGC Care List UGC-CARE List Group II (Scopus Only)
Volume Number 1305
Issue Number 0
Web Link https://www.sciencedirect.com/science/article/abs/pii/S0022286024002473?via%3Dihub
Web Link Journal https://www.sciencedirect.com/journal/journal-of-molecular-structure/about/aims-and-scope
Proof
Author Type Co-Author
Author Serial 6
Affiliating Institute Islamic University of Science and Technology
17. Assessing the Suitability of α-SiS Nanosheet as an Anode Material for Multivalent Metal-Ion Batteries
Acceptance Date 14-09-2023
Publication Date Online 14-09-2023
Publication Date 14-09-2023
DOI https://doi.org/10.1021/acs.energyfuels.3c02280
Number of Authors 6
ISSN 0887-0624
EISSN 1520-5029
Journal ENERGY & FUELS
Listed In Thomson True
Impact Factor 5.3
Source of Impact Factor Thomson Reuters
UGC Care List UGC-CARE List Group II (Web of Science Only)
Volume Number 37
Issue Number 19
Web Link https://pubs.acs.org/doi/10.1021/acs.energyfuels.3c02280
Web Link Journal https://pubs.acs.org/journal/enfuem
Proof
Author Type Co-Author
Author Serial 3
Affiliating Institute Islamic University of Science and Technology
18. N2 Activation and Reduction on Graphdiyne Supported Single, Double, and Triple boron Atom Catalysts: A First Principles Investigation
Acceptance Date 01-09-2023
Publication Date Online 01-09-2023
Publication Date 01-09-2023
DOI https://doi.org/10.1002/slct.202300993
Number of Authors 4
ISSN 2365-6549
EISSN 2365-6549
Journal CHEMISTRYSELECT
Listed In Thomson True
Impact Factor 2.307
Source of Impact Factor Thomson Reuters
UGC Care List UGC-CARE List Group II (Both Scopus and Web of Science)
Volume Number 08
Issue Number 33
Web Link https://chemistry-europe.onlinelibrary.wiley.com/doi/abs/10.1002/slct.202300993
Web Link Journal https://chemistry-europe.onlinelibrary.wiley.com/journal/23656549
Proof
Author Type Corresponding Author
Author Serial 4
Affiliating Institute Islamic University of Science and Technology
19. Nickel single atom catalyst supported on the gallium nitride monolayer: first principles investigations on the decisive role of support in the electrocatalytic reduction of CO2
Acceptance Date 26-08-2023
Publication Date Online 28-08-2023
Publication Date 28-08-2023
DOI 10.1039/D3SE00830D
Number of Authors 4
ISSN NA
EISSN 2398-4902
Journal SUSTAINABLE ENERGY & FUELS
Listed In Thomson True
Impact Factor 5.6
Source of Impact Factor Thomson Reuters
UGC Care List UGC-CARE List Group II (Both Scopus and Web of Science)
Volume Number 7
Issue Number 0
Web Link https://pubs.rsc.org/en/content/articlehtml/2023/se/d3se00830d
Web Link Journal https://www.rsc.org/journals-books-databases/about-journals/sustainable-energy-fuels
Proof
Author Type Corresponding Author
Author Serial 4
Affiliating Institute Islamic University of Science and Technology
20. Implications of the Pore Size of Graphitic Carbon Nitride Monolayers on the Selectivity of Dual-Boron Atom Catalysts for the Reduction of N2 to Urea and Ammonia: A Computational Investigation
Acceptance Date 09-08-2023
Publication Date Online 09-08-2023
Publication Date 09-08-2023
DOI https://doi.org/10.1021/acs.inorgchem.3c02316
Number of Authors 1
ISSN 0020-1669
EISSN 1520-510X
Journal INORGANIC CHEMISTRY
Listed In Thomson True
Impact Factor 5.4
Source of Impact Factor Thomson Reuters
UGC Care List UGC-CARE List Group II (Both Scopus and Web of Science)
Volume Number 62
Issue Number 33
Web Link https://pubs.acs.org/doi/full/10.1021/acs.inorgchem.3c02316
Web Link Journal https://pubs.acs.org/page/inocaj/about.html
Proof
Author Type Corresponding Author
Author Serial 1
Affiliating Institute Islamic University of Science and Technology
21. Optimizing the NRR activity of single and double boron atom catalysts using a suitable support: a first principles investigation
Acceptance Date 01-08-2023
Publication Date Online 02-08-2023
Publication Date 02-08-2023
DOI 10.1039/D3CP02358C
Number of Authors 4
ISSN NA
EISSN 1463-9084
Journal Physical Chemistry Chemical Physics
Listed In Thomson True
Impact Factor 3.3
Source of Impact Factor Thomson Reuters
UGC Care List UGC-CARE List Group II (Both Scopus and Web of Science)
Volume Number 25
Issue Number 0
Web Link https://pubs.rsc.org/en/content/articlehtml/2023/cp/d3cp02358c
Web Link Journal https://www.rsc.org/journals-books-databases/about-journals/pccp
Proof
Author Type Corresponding Author
Author Serial 4
Affiliating Institute Islamic University of Science and Technology
22. Boosting CO2 Activation and Reduction by Engineering the Electronic Structure of Graphitic Carbon Nitride through Transition Metal-Free Single-Atom Functionalization
Acceptance Date 10-05-2023
Publication Date Online 10-05-2023
Publication Date 10-05-2023
DOI https://doi.org/10.1021/acs.jpcc.3c00387
Number of Authors 7
ISSN 1932-7447
EISSN 1932-7455
Journal The Journal of Physical Chemistry C
Listed In Thomson True
Impact Factor 3.7
Source of Impact Factor Thomson Reuters
UGC Care List UGC-CARE List Group II (Both Scopus and Web of Science)
Volume Number 127
Issue Number 25
Web Link https://pubs.acs.org/doi/full/10.1021/acs.jpcc.3c00387
Web Link Journal https://pubs.acs.org/page/jpccck/about.html
Proof
Author Type Corresponding Author
Author Serial 7
Affiliating Institute Islamic University of Science and Technology
23. Understanding the activity of single atom catalysts for CO2 reduction to C2 products: A high throughput computational screening
Acceptance Date 13-03-2023
Publication Date Online 14-03-2023
Publication Date 14-03-2023
DOI 10.1039/D3NJ00247K
Number of Authors 2
ISSN NA
EISSN 1369-9261
Journal New Journal of Chemistry
Listed In Thomson True
Impact Factor 3.3
Source of Impact Factor Thomson Reuters
UGC Care List UGC-CARE List Group II (Both Scopus and Web of Science)
Volume Number 1369-9261
Issue Number 0
Web Link https://pubs.rsc.org/en/content/articlehtml/2023/nj/d3nj00247k
Web Link Journal https://www.rsc.org/journals-books-databases/about-journals/njc
Proof
Author Type Corresponding Author
Author Serial 2
Affiliating Institute Islamic University of Science and Technology
24. First-Principles Investigation of the Electrocatalytic Reduction of CO2 on Zirconium-Based Single-, Double-, and Triple-Atom Catalysts Anchored on a Graphitic Carbon Nitride Monolayer
Acceptance Date 14-09-2022
Publication Date Online 04-10-2022
Publication Date 04-10-2022
DOI https://doi.org/10.1021/acsanm.2c03464
Number of Authors 9
ISSN NA
EISSN 2574-0970
Journal ACS Applied Nano Materials
Listed In Thomson True
Impact Factor 5.9
Source of Impact Factor Thomson Reuters
UGC Care List UGC-CARE List Group II (Both Scopus and Web of Science)
Volume Number 5
Issue Number 10
Web Link https://pubs.acs.org/doi/abs/10.1021/acsanm.2c03464
Web Link Journal https://pubs.acs.org/page/aanmf6/about.html
Proof
Author Type Corresponding Author
Author Serial 9
Affiliating Institute Islamic University of Science and Technology
25. Probing the Site-Specific Reactivity and Catalytic Activity of Agn (n = 15–20) Silver Clusters
Acceptance Date 16-05-2022
Publication Date Online 27-05-2022
Publication Date 27-05-2022
DOI doi.org/10.1021/acsomega.2c01437
Number of Authors 5
ISSN NA
EISSN 2470-1343
Journal ACS Omega
Listed In Thomson True
Impact Factor 3.7
Source of Impact Factor Thomson Reuters
UGC Care List UGC-CARE List Group II (Scopus Only)
Volume Number 7
Issue Number 0
Web Link https://pubs.acs.org/doi/full/10.1021/acsomega.2c01437
Web Link Journal https://pubs.acs.org/journal/acsodf
Proof
Author Type Corresponding Author
Author Serial 5
Affiliating Institute Islamic University of Science and Technology
26. Role of magnetization on catalytic pathways of non-oxidative methane activation on neutral iron carbide clusters
Acceptance Date 24-04-2022
Publication Date Online 25-04-2022
Publication Date 25-04-2022
DOI doi.org/10.1039/D1CP05769C
Number of Authors 7
ISSN NA
EISSN 1463-9084
Journal PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Listed In Thomson True
Impact Factor 2.9
Source of Impact Factor Thomson Reuters
UGC Care List UGC-CARE List Group II (Scopus Only)
Volume Number 24
Issue Number 0
Web Link https://pubs.rsc.org/en/content/articlelanding/2022/cp/d1cp05769c/unauth
Web Link Journal https://pubs.rsc.org/en/journals/journalissues/cp#!recentarticles&adv
Proof
Author Type Co-Author
Author Serial 2
Affiliating Institute Islamic University of Science and Technology
27. Exploring the structure and electronic properties of germanium doped boron clusters using density functional theory based global optimization method
Acceptance Date 02-03-2022
Publication Date Online 02-03-2022
Publication Date 02-03-2022
DOI D2NJ00227B
Number of Authors 4
ISSN NA
EISSN 1144-0546
Journal New Journal of Chemistry
Listed In Thomson True
Impact Factor 3.591
Source of Impact Factor Thomson Reuters
UGC Care List UGC-CARE List Group II (Both Scopus and Web of Science)
Volume Number 46
Issue Number
Web Link https://pubs.rsc.org/en/content/articlelanding/2022/nj/d2nj00227b/unauth
Web Link Journal https://pubs.rsc.org/en/journals/journalissues/nj#!recentarticles&adv
Proof
Author Type Corresponding Author
Author Serial 4
Affiliating Institute Islamic University of Science and Technology
28. Tantalum based single, double and triple atom catalysts supported on g-C2N monolayer for effective nitrogen reduction reaction: A comparative DFT investigation
Acceptance Date 12-11-2021
Publication Date Online 12-11-2021
Publication Date 12-11-2021
DOI DOI https://doi.org/10.1039/D1CY01292D
Number of Authors 1
ISSN 2044-4761
EISSN NA
Journal Catalysis Science & Technology
Listed In Thomson True
Impact Factor 6.119
Source of Impact Factor Thomson Reuters
UGC Care List UGC-CARE List Group II (Both Scopus and Web of Science)
Volume Number 12
Issue Number 0
Web Link https://pubs.rsc.org/en/content/articlehtml/2021/cy/d1cy01292d
Web Link Journal https://pubs.rsc.org/en/journals/journalissues/cy#!recentarticles&adv
Proof
Author Type Corresponding Author
Author Serial 7
Affiliating Institute Islamic University of Science and Technology
29. Electrocatalytic nitrogen reduction directed through the p-band center of boron on BSAC@Mo2C
Acceptance Date 09-11-2021
Publication Date Online 09-11-2021
Publication Date 09-11-2021
DOI 10.1039/D1MA00953B
Number of Authors 3
ISSN NA
EISSN 2633-5409
Journal Material Advances
Listed In Thomson True
Impact Factor 5
Source of Impact Factor Thomson Reuters
UGC Care List UGC-CARE List Group II (Web of Science Only)
Volume Number 3
Issue Number
Web Link https://pubs.rsc.org/en/content/articlehtml/2021/ma/d1ma00953b
Web Link Journal https://www.rsc.org/journals-books-databases/about-journals/materials-advances
Proof
Author Type Corresponding Author
Author Serial 2
Affiliating Institute Islamic University of Science and Technology
30. Surface functionalization: an efficient alternative for promoting the catalytic activity of closed shell gold clusters
Acceptance Date 21-09-2020
Publication Date Online 21-09-2020
Publication Date 21-09-2020
DOI D0CP01918F
Number of Authors 3
ISSN 1463-9084
EISSN 1463-9084
Journal Physical Chemistry Chemical Physics
Listed In Thomson True
Impact Factor 3.3
Source of Impact Factor Thomson Reuters
UGC Care List UGC-CARE List Group II (Both Scopus and Web of Science)
Volume Number
Issue Number
Web Link https://pubs.rsc.org/en/content/articlelanding/2020/cp/d0cp01918f/unauth#!divAbstract
Web Link Journal https://pubs.rsc.org/en/journals/journalissues/cp#!recentarticles&adv
Proof
Author Type Corresponding Author
Author Serial 3
Affiliating Institute Islamic University of Science and Technology
31. Molecular and Dissociative Adsorption of Oxygen on Au–Pd Bimetallic Clusters: Role of Composition and Spin State of the Cluster
Acceptance Date 25-07-2019
Publication Date Online 25-07-2019
Publication Date 25-07-2019
DOI https://doi.org/10.1021/acsomega.9b01581
Number of Authors 2
ISSN 2470-1343
EISSN 2470-1343
Journal ACS Omega
Listed In Thomson True
Impact Factor 4.1
Source of Impact Factor Thomson Reuters
UGC Care List UGC-CARE List Group II (Web of Science Only)
Volume Number 4
Issue Number
Web Link https://pubs.acs.org/doi/abs/10.1021/acsomega.9b01581
Web Link Journal https://pubs.acs.org/page/acsodf/about.html
Proof
Author Type Corresponding Author
Author Serial 1
Affiliating Institute Islamic University of Science and Technology
32. Contriving a Catalytically Active Structure from an Inert Conformation: A Density Functional Investigation of Al, Hf, and Ge Doping of Au20 Tetrahedral Clusters
Acceptance Date 23-08-2016
Publication Date Online 23-08-2016
Publication Date 23-08-2016
DOI https://doi.org/10.1021/acs.jpcc.6b04305
Number of Authors 3
ISSN 1932-7447
EISSN 1932-7447
Journal The Journal of Physical Chemistry C
Listed In Thomson True
Impact Factor 4.189
Source of Impact Factor Thomson Reuters
UGC Care List UGC-CARE List Group II (Both Scopus and Web of Science)
Volume Number 120
Issue Number 0
Web Link https://pubs.acs.org/doi/full/10.1021/acs.jpcc.6b04305
Web Link Journal https://pubs.acs.org/page/jpccck/about.html
Proof
Author Type Corresponding Author
Author Serial 1
Affiliating Institute CSIR-National Chemical Laboratory Pune
33. Endohedrally doped gold nanocages: efficient catalysts for O 2 activation and CO oxidation
Acceptance Date 23-11-2015
Publication Date Online 23-11-2015
Publication Date 23-11-2015
DOI 10.1039/C5CP05624A
Number of Authors 3
ISSN 1463-9076
EISSN NA
Journal Physical Chemistry Chemical Physics
Listed In Thomson True
Impact Factor 3.43
Source of Impact Factor Thomson Reuters
UGC Care List UGC-CARE List Group II (Both Scopus and Web of Science)
Volume Number 18
Issue Number 0
Web Link https://pubs.rsc.org/en/content/articlehtml/2016/cp/c5cp05624a
Web Link Journal https://pubs.rsc.org/en/journals/journalissues/cp#!recentarticles&adv
Proof
Author Type Corresponding Author
Author Serial 1
Affiliating Institute CSIR-National Chemical Laboratory Pune
34. Reactivity and catalytic activity of hydrogen atom chemisorbed silver clusters
Acceptance Date 19-05-2015
Publication Date Online 19-05-2015
Publication Date 19-05-2015
DOI https://doi.org/10.1021/acs.jpca.5b01987
Number of Authors 1
ISSN 1089-5639
EISSN 1520-5215
Journal The Journal of Physical Chemistry A
Listed In Thomson True
Impact Factor 2.6
Source of Impact Factor Thomson Reuters
UGC Care List UGC-CARE List Group II (Both Scopus and Web of Science)
Volume Number 119
Issue Number
Web Link https://pubs.acs.org/doi/full/10.1021/acs.jpca.5b01987
Web Link Journal https://pubs.acs.org/journal/jpcafh
Proof
Author Type Corresponding Author
Author Serial 1
Affiliating Institute CSIR-National Chemical Laboratory Pune
35. Hydrogen Atom Chemisorbed Gold Clusters as Highly Active Catalysts for Oxygen Activation and CO Oxidation
Acceptance Date 01-12-2014
Publication Date Online 01-12-2014
Publication Date 01-12-2014
DOI doi.org/10.1021/jp510488v
Number of Authors 2
ISSN 1932-7447
EISSN 1932-7455
Journal JOURNAL OF PHYSICAL CHEMISTRY C
Listed In Thomson True
Impact Factor 4.189
Source of Impact Factor Thomson Reuters
UGC Care List UGC-CARE List Group II (Web of Science Only)
Volume Number 118
Issue Number
Web Link https://pubs.acs.org/doi/full/10.1021/jp510488v
Web Link Journal https://pubs.acs.org/journal/jpccck
Proof
Author Type First Author
Author Serial 1
Affiliating Institute CSIR National Chemical Laboratory Pune
36. Enhanced interaction of molecular oxygen with amino acid complexes of silver and gold clusters
Acceptance Date 01-08-2014
Publication Date Online 01-08-2014
Publication Date 01-08-2014
DOI NA
Number of Authors 2
ISSN 0975-0975
EISSN NA
Journal Indian Journal of Chemistry A
Listed In Thomson True
Impact Factor 0.489
Source of Impact Factor Thomson Reuters
UGC Care List UGC-CARE List Group I
Volume Number 53A
Issue Number
Web Link https://nopr.niscpr.res.in/handle/123456789/29253
Web Link Journal https://nopr.niscpr.res.in/handle/123456789/29214
Proof
Author Type First Author
Author Serial 1
Affiliating Institute CSIR-National Chemical Laboratory Pune
37. Effect of Silicon Doping on the Reactivity and Catalytic Activity of Gold Clusters
Acceptance Date 18-03-2014
Publication Date Online 18-03-2014
Publication Date 18-03-2014
DOI doi/abs/10.1021/jp501611t
Number of Authors 1
ISSN 1932-7447
EISSN 1932-7455
Journal JOURNAL OF PHYSICAL CHEMISTRY C
Listed In Thomson True
Impact Factor 4.189
Source of Impact Factor Thomson Reuters
UGC Care List UGC-CARE List Group II (Web of Science Only)
Volume Number 118
Issue Number
Web Link https://pubs.acs.org/doi/abs/10.1021/jp501611t
Web Link Journal https://pubs.acs.org/page/jpccck/about.html
Proof
Author Type First Author
Author Serial 1
Affiliating Institute CSIR National Chemical Laboratory Pune
38. Structure, Stability, and Properties of the Trans Peroxo Nitrate Radical: The Importance of Nondynamic Correlation
Acceptance Date 06-02-2014
Publication Date Online 06-02-2014
Publication Date 06-02-2014
DOI https://doi.org/10.1021/jp409218c
Number of Authors 4
ISSN 1089-5639
EISSN NA
Journal The Journal of Physical Chemistry A
Listed In Thomson True
Impact Factor 2.6
Source of Impact Factor Thomson Reuters
UGC Care List UGC-CARE List Group II (Both Scopus and Web of Science)
Volume Number 118
Issue Number 0
Web Link https://pubs.acs.org/doi/full/10.1021/jp409218c
Web Link Journal https://pubs.acs.org/journal/jpcafh
Proof
Author Type Co-Author
Author Serial 2
Affiliating Institute CSIR-National Chemical Laboratory Pune
39. Influence of Charge and Ligand on the Finite Temperature Behavior of Gold Clusters: A BOMD Study on Au6 Cluster
Acceptance Date 16-09-2013
Publication Date Online 16-09-2013
Publication Date 16-09-2013
DOI https://doi.org/10.1021/jp407081m
Number of Authors 1
ISSN 1932-7447
EISSN 1932-7455
Journal The Journal of Physical Chemistry C
Listed In Thomson True
Impact Factor 4.189
Source of Impact Factor Thomson Reuters
UGC Care List UGC-CARE List Group II (Both Scopus and Web of Science)
Volume Number 117
Issue Number 0
Web Link https://pubs.acs.org/doi/full/10.1021/jp407081m
Web Link Journal https://pubs.acs.org/journal/jpccck
Proof
Author Type First Author
Author Serial 1
Affiliating Institute CSIR-National Chemical Laboratory Pune

Overview

9

Total

LevelTotal
International (Within Country)5
National2
State2

Conference / Seminar Details

ParticipationPaper TitleTitle of Conference/SeminarISBNFromTo
Keynote Speaker / Invited TalkDouble Atom Catalysts for CO2 Reduction Reaction: Insights from first Principles SimulationsADVANCED MATERIALS & TECHNOLOGIES FOR SUSTAINABLE ENERGY & FUTURE, 2025 (AMTSEF-25) 19-09-202521-09-2025
Keynote Speaker / Invited TalkAtomically Dispersed Catalysts for CO2 Reduction Reaction: Insights from First Principles SimulationsNano and Supramolecular Chemistry (NCNSC-2025) 07-08-202508-08-2025
Keynote Speaker / Invited TalkAtomistic Modelling of Single and Double Atom Catalysts for the Electrocatalytic Nitrogen Reduction ReactionFrontiers and Advances in Chemistry: Theory & Synthesis (FACTS 2025) 01-08-202503-08-2025
Keynote Speaker / Invited TalkAccelerating catalyst Design for CO2 Conversion to value added Products: Insights from first principles simulationsJK Science Congress 2024 on the Theme "Scientific Endeavors, Innovations, and Exploring New Possibilities" 21-10-202422-10-2024
Keynote Speaker / Invited TalkFirst Principles based Design of Efficient Catalysts for CO2 reduction to Value Added ProductsFunctional Hybrid Materials for Clean Energy & Healthcare Applications 22-07-202426-07-2024
Keynote Speaker / Invited TalkQuantum Numbers and Shapes of Orbitals3 day capacity building programme in chemistry 13-02-202315-02-2023
Keynote Speaker / Invited TalkComputer Aided Design of Single Atom Catalysts for CO2 Reduction to C1 and C2 productsDesigning Catalysts on Computers -2022 organized by IACS Kolkatta 02-12-202203-12-2022
Keynote Speaker / Invited TalkExploring single, double, and triple atom catalysts for electroreduction of N2 and CO2 molecules2nd International Conference on Materials Genome (ICMG-II) 24-03-202225-03-2022
Keynote Speaker / Invited TalkStructural Modulation of Gold Clusters for Enhanced Catalytic Activity: Insights from Density Functional Theoryinternational conference on Structure and Dynamics of Molecular and Condensed Matter Systems, ICSD – 2020 organized by IISER, Kolkata. 01-03-202004-03-2020

Overview

0

Total Books

0

Book Chapters

Books / Chapters Details

Overview

5

Total

Project StatusTotal ProjectsGrant In Aid
Completed2₹34,20,000.00
Ongoing3₹1,58,73,600.00

Projects Details

FIST (SR/FST/CS-I/2024/395)

DST ( Co-PI ) |
Grant In AidTenure In MonthsYearStatus
₹1,26,00,000.006020-12-2024Ongoing

Elucidating the influence of microstructure and heteroatom doping on Sodium-ion storage behaviour of hard carbon materials employing the DFT

ANRF-DST NPDF ( PI ) |
Grant In AidTenure In MonthsYearStatus
₹26,73,600.002402-02-2024Ongoing

Mechanistic insights into the design of doped two-dimensional (2D) materials as electrocatalysts for oxygen reduction reaction

JKST&IC ( PI ) |
Grant In AidTenure In MonthsYearStatus
₹6,00,000.002429-01-2024Ongoing

Development of theoretical descriptors for the rational design of single-atom catalysts for CO2 hydrogenation using first principle simulations

SERB ( PI ) |
Grant In AidTenure In MonthsYearStatus
₹24,20,000.002409-12-2020Completed

Computational insights into the design of size-selected cage-type and core-shell nanoclusters with low platinum loading for oxygen reduction reaction

UGC ( PI ) |
Grant In AidTenure In MonthsYearStatus
₹10,00,000.003620-01-2020Completed

Overview

8

NameParticipationTotal
Faculty Development Program (FDP)Organizer1
Refresher CourseParticipant2
Summer SchoolParticipant1
Teacher Learning EvaluationParticipant1
WorkshopOrganizer2
WorkshopParticipant1
DurationTotal
Less Than One Week4
One Week2
Two Week2
Year WiseTotal
20184
20192
20211
20251

FDP / Workshop Details

NameTitleAgencyFunding AgencyDurationModeFromTo
Refresher CourseMaterial Science: Role in Developing Bharat(MD)UGC: MALAVIYA MISSION TEACHER TRAINING CENTRE SAURAHTRA UNIVERSITY< RAJKOT GUJARATNATwo WeekOnline06-01-202518-01-2025
Refresher CourseChemistry Conducted OnlineUGC-HUMAN RESOURCE DEVELOPMENT CENTRE Punjabi UniversityDST SERB IndiaTwo WeekOnline29-11-202111-12-2021
Summer SchoolSummer School on Quantum MechanicsDepartment of Physics IUST, AwantiporaMyselfOne WeekOffline29-07-201904-08-2019
Faculty Development Program (FDP)Emerging Trends In Physical, Chemical and Mathematical SciencesDepartment of Physics, Chemistry, and Mathematical, Islamic University of Science and Technology AwaNAOne WeekOffline14-02-201920-02-2019
WorkshopHANDS ON TRAINING ON SCIENCE LABORATORY EQUIPMENT AND INSTRUMENTATION FOR FACULTY AND RESEARCH SCHOLARSDepartment of Chemistry, University of Kashmir, SrinagarNALess Than One WeekOffline28-11-201829-11-2018
WorkshopNanoscience- opportunitiesDepartment of Physics, Chemistry, Islamic University of Science and Technology Awantipora, J &KNALess Than One WeekOffline04-09-201805-09-2018
WorkshopNanoscience- opportunitiesDepartment of Physics, Chemistry, Islamic University of Science and Technology Awantipora, J &KNALess Than One WeekOffline04-09-201805-09-2018
Teacher Learning EvaluationA Roadmap to Growth of Teaching, Learning and ResearchDepartment Management Studies, IUST in association with IIT Roorkee NALess Than One WeekOffline16-08-201818-08-2018

Overview

4

Total

SupervisionPrgCodeStatusTotal
SupervisorPh.D. (CHM)Awarded1
SupervisorPh.D. (CHM)Under Superviosn3

Research Guidance Details

RegistrationNoPrgCodeBatchResearchTopicFellowshipNameProgrammeCompleted
IUST0120014461Ph.D. (CHM)2020Computational Screening of Single, Double and Triple Atom Catalysts for CO2 ReductionPROJECT FELLOW
IUST0120014460Ph.D. (CHM)2020Computational Design of Efficient Catalysts for Electrocatalytic Applications.IUST-Fellowship
IUST0117009703Ph.D. (CHM)2019Atomistic Modelling of Single Atom Catalysts for the Electrocatalytic Nitrogen Reduction ReactionINSPIRE
IUST0118012025Ph.D. (CHM)2018Abinitio and Density Functional Theory Based Investigations on the Structure and Catalytic Properties of Metal Clusters 
Overview

LevelTotal
National1

LevelTypeAwardNameAwardingAgencyYear
NationalFellowshipINSA Visiting Faculty FellowshipINSA2023