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Research Publications
|
| Title of Article |
Type of Publication |
Name of Journal |
ISSN |
Journal Volume |
Year |
Link to Article |
DOI (Digital Object Identifier) |
|
Density functional investigation on the structures and properties of Li atom doped Au20 cluster
|
Research Papers in Peer Reviewed Journals
|
Molecular Physics
|
|
111 |
2024 (Communicated) |
|
|
|
Dithiophosphonate Anchored Heterometallic (Ag (I)/Fe (II)) Molecular Catalysts for Electrochemical Hydrogen Evolution Reaction
|
Research Papers in Peer Reviewed Journals
|
Inorganic Chemistry
|
|
61 |
2024 (Communicated) |
|
|
|
Remarkable structural effect on the gold–hydrogen analogy in hydrogen-doped gold cluster
|
Research Papers in Peer Reviewed Journals
|
The Journal of Physical Chemistry A
|
|
123 |
2024 (Communicated) |
|
|
|
Heterostructures of 2D Core/Shell Nanoplatelets with 2D MoS2 as an Efficient Electrocatalyst for Hydrogen Evolution Reaction
|
Research Papers in Peer Reviewed Journals
|
ACS Applied Energy Materials
|
|
6 |
2024 (Communicated) |
|
|
|
Effect of hydrogen atom doping on the structure and electronic properties of 20-atom gold cluster
|
Research Papers in Peer Reviewed Journals
|
The Journal of Physical Chemistry C
|
|
120 |
2024 (Communicated) |
|
|
|
Adsorption and activation of CO 2 on Zr n (n= 2–7) clusters
|
Research Papers in Peer Reviewed Journals
|
Physical Chemistry Chemical Physics
|
|
22 |
2024 (Communicated) |
|
|
|
Dumbbell-shaped ternary transition-metal (Cu, Ni, Co) phosphate bundles: a promising catalyst for the oxygen evolution reaction
|
Research Papers in Peer Reviewed Journals
|
ACS Applied Materials & Interfaces
|
|
14 |
2024 (Communicated) |
|
|
|
Electronic Structure and Quantum Capacitance Analysis of Transition Metal Doped Cobalt Diselenide for Supercapacitors
|
Research Papers in Peer Reviewed Journals
|
Journal of Physics and Chemistry of Solids
|
|
188 |
2023 |
|
|
|
Does enhanced oxygen activation always facilitate CO oxidation on gold clusters?
|
Research Papers in Peer Reviewed Journals
|
Journal of Computational Chemistry
|
|
36 |
2024 (Communicated) |
|
|
|
Does Water Play a Crucial Role in the Growth of ZnO Nanoclusters in ZnO/Cu Catalyst?
|
Research Papers in Peer Reviewed Journals
|
The Journal of Physical Chemistry C
|
|
127 |
2024 (Communicated) |
|
|
|
Exploring the Role of CoTe/Co3O4 Composite Catalyst for Enhanced Oxygen Evolution Reaction
|
Research Papers in Peer Reviewed Journals
|
ACS Applied Engineering Materials
|
|
1 |
2024 (Communicated) |
|
|
|
Microscopic understanding of electrocatalytic reduction of CO2 on Pd-polyaniline composite: an ab initio study
|
Research Papers in Peer Reviewed Journals
|
Journal of Molecular Modeling
|
|
24 |
2024 (Communicated) |
|
|
|
CO$_2$ Capture, Activation and Dissociation on Ti$_2$C Surface and Ti$_2$C MXene: Role of Surface Structure
|
Research Papers in Peer Reviewed Journals
|
Physical Chemistry Chemical Physics,
|
|
22 |
2024 (Communicated) |
|
|
|
Unraveling the role of orbital interaction in the electrochemical HER of the trimetallic AgAuCu nanobowl catalyst
|
Research Papers in Peer Reviewed Journals
|
The Journal of Physical Chemistry Letters
|
|
14 |
2024 (Communicated) |
|
|
|
Topological insulators: an in‐depth review of their use in modelocked fiber lasers
|
Research Papers in Peer Reviewed Journals
|
Annalen der Physik
|
|
533 |
2024 (Communicated) |
|
|
|
Gold–Hydrogen Analogy in Small–Sized Hydrogen–Doped Gold Clusters Revisited
|
Research Papers in Peer Reviewed Journals
|
ChemPhysChem
|
|
23 |
2024 (Communicated) |
|
|
|
Adsorption and activation of CO2 on a Au19Pt subnanometer cluster in aqueous environment
|
Research Papers in Peer Reviewed Journals
|
Computational and Theoretical Chemistry
|
|
1212 |
2024 (Communicated) |
|
|
|
Ag–S Type Quantum Dots versus Superatom Nanocatalyst: A Single Sulfur Atom Modulated Decarboxylative Radical Cascade Reaction
|
Research Papers in Peer Reviewed Journals
|
Inorganic Chemistry
|
|
62 |
2023 |
|
|
|
Theoretical investigation of quantum capacitance of Co-doped α-MnO 2 for supercapacitor applications using density functional theory
|
Research Papers in Peer Reviewed Journals
|
Physical Chemistry Chemical Physics
|
|
25 |
2023 |
|
|
|
Nanoinformatics based insights into the interaction of blood plasma proteins with carbon based nanomaterials: Implications for biomedical applications.
|
Research Papers in Peer Reviewed Journals
|
Advances in Protein Chemistry and Structural Biology
|
|
139 |
2024 |
|
|
|
Co3O4/WO3/C Nanorods with Porous Structures as High-Performance Electrocatalysts for Water Splitting
|
Research Papers in Peer Reviewed Journals
|
ACS Applied Nano Materials
|
|
7 |
2024 |
|
|
|
Ab initio studies of effect of copper substitution on the electronic and magnetic properties of Ni 2 MnGa and Mn 2 NiGa
|
Research Papers in Peer Reviewed Journals
|
Physical Review B
|
|
88 |
2013 |
|
|
|
Silicene: A Promising Surface to Achieve Morphology Transformation in Gold Clusters
|
Research Papers in Peer Reviewed Journals
|
The Journal of Physical Chemistry C
|
|
119 |
2015 |
|
|
|
Significant modulation of CO adsorption on bimetallic Au< sub> 19 Li cluster
|
Research Papers in Peer Reviewed Journals
|
Chemical Physics
|
|
428 |
2014 |
|
|
|
Mechanism of iron integration into LiMn1. 5Ni0. 5O4 for the electrocatalytic oxygen evolution reaction
|
Research Papers in Peer Reviewed Journals
|
Energy & Fuels
|
|
36 |
2022 |
|
|
|
Structural and chemical properties of subnanometer-sized bimetallic Au19Pt cluster
|
Research Papers in Peer Reviewed Journals
|
The Journal of Physical Chemistry C
|
|
118 |
2014 |
|
|
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Surfactants effect on the electrochemical properties of FeSe2 electrode for supercapacitor with first principles insights into quantum capacitance
|
Research Papers in Peer Reviewed Journals
|
Ceramics International
|
|
50 |
2024 |
|
|
|
Ab initio study of CO2 hydrogenation mechanisms on inverse ZnO/Cu catalysts
|
Research Papers in Peer Reviewed Journals
|
Journal of catalysis
|
|
360 |
2018 |
|
|
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Probing interaction of atherogenic lysophosphatidylcholine with functionalized graphene nanosheets: theoretical modelling and experimental validation
|
Research Papers in Peer Reviewed Journals
|
Journal of Molecular Modeling
|
|
29 |
2023 |
|
|
|
Ab Initio Modeling of the ZnO-Cu (111) Interface
|
Research Papers in Peer Reviewed Journals
|
The Journal of Physical Chemistry C
|
|
126 |
2021 |
|
|
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Bio-assisted Synthesis of Au/Rh Nanostructure Electrocatalysts for Hydrogen Evolution and Methanol Oxidation Reactions: Composition Matters!
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Research Papers in Peer Reviewed Journals
|
Energy & Fuels
|
|
37 |
2023 |
|
|
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Nitrogen Doping in NiS/Ni3S4 Nanowire-Based Electrocatalysts for Promoting the Second-Order Hydrogen Evolution Reaction
|
Research Papers in Peer Reviewed Journals
|
ACS Applied Nano Materials
|
|
7 |
2024 (Communicated) |
|
|
|
Electronic structure and quantum capacitance analysis of transition metal doped cobalt diselenide for supercapacitors
|
Research Papers in Peer Reviewed Journals
|
Journal of Physics and Chemistry of Solids
|
|
188 |
2024 (Communicated) |
|
|
|
Adsorption and activation of CO2 on small-sized Cu–Zr bimetallic clusters
|
Research Papers in Peer Reviewed Journals
|
The Journal of Physical Chemistry A
|
|
125 |
2024 (Communicated) |
|
|
