Vikram Mahamiya

Postdoctoral Fellows
Postdoctoral Fellow
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Condensed Matter and Statistical Physics
+39 040 2240 457
vmahamiy@ictp.it
+39 040 2240 457
vmahamiy@ictp.it
LB-234
0009-0004-3218-6994

Vikram Mahamiya

My research primarily focuses on ab-initio calculations of nanomaterials, with a particular emphasis on understanding the electronic structure and optical properties of clusters and 2D nanomaterials. I am also interested in investigating the energy storage, catalytic, sensing, and metal-ion battery characteristics of surfaces and interfaces (solid-solid and solid-liquid). For this purpose, we employ a range of computational techniques, including density functional theory (DFT), density functional tight binding (DFTB), ab-initio molecular dynamics (AIMD), wave function-based methods (CI and CC), and machine learning approaches.

Publications

Journal article
2024
Waste-to-energy material: Winery-waste derived heteroatoms containing graphene-like porous carbon for high-voltage supercapacitor
Materials Today Sustainability (2024)
Harshitha B. Tyagaraj | Vikram Mahamiya | Supriya J. Marje | Moein Safarkhani | Gagankumar S K | Ebrahim Al-Hajri | Nilesh R. Chodankar | Yun Suk Huh | Young-Kyu Han
Journal article
2024
Unveiling the Nanoarchitectonics of Interfacial Electronic Coupling in Atomically Thin 2D WO3/WSe2 Heterostructure for Sodium‐Ion Storage in Aqueous System
Advanced Functional Materials (2024)
Pragati A. Shinde | Vikram Mahamiya | Moein Safarkhani | Nilesh R. Chodankar | Masaki Ishii | Renzhi Ma | Amal Al Ghaferi | Lok Kumar Shrestha | Katsuhiko Ariga | Vikram Mahamiya
Journal article
2024
Phase-Engineered Tin Sulfides and Their Heterostructure with Ti3C2Tx MXene for All-Solid-State Flexible Asymmetric Supercapacitors
ACS Applied Nano Materials (2024)
Abhinandan Patra | Shridhar Hegde | Vikram Mahamiya | Brahmananda Chakraborty | Sang Mun Jeong | Chandra Sekhar Rout
Journal article
2024
Interplay between van der Waals, Kubas, and chemisorption process when hydrogen molecules are adsorbed on pristine and Sc-functionalized BeN4
International Journal of Hydrogen Energy (2024)
Vikram Mahamiya | Juhee Dewangan | Brahmananda Chakraborty
Journal article
2024
Quantitative Analysis of the Synergy of Doping and Nanostructuring of Oxide Photocatalysts
Materials (2024)
Nicola Seriani | Paola Delcompare-Rodriguez | Dhanshree Pandey | Abhishek Kumar Adak | Vikram Mahamiya | Carlos Pinilla | Hala J. El-Khozondar
Journal article
2023
Defect-driven tunable electronic and optical properties of two-dimensional silicon carbide
Physical Review B (2023)
Arushi Singh | Vikram Mahamiya | Alok Shukla
Journal article
2023
Influence of defects on the valley polarization properties of monolayer MoS2 grown by chemical vapor deposition
Physical Review B (2023)
Faiha Mujeeb | Poulab Chakrabarti | Vikram Mahamiya | Alok Shukla | Subhabrata Dhar
Journal article
2023
An ab initio study of catechol sensing in pristine and transition metal decorated γ-graphyne
Nanotechnology (2023)
Dewangan, Juhee | Mahamiya, Vikram | Shukla, Alok | Chakraborty, Brahmananda
Journal article
2023
Lithium decorated ψ-graphene as a potential hydrogen storage material: Density functional theory investigations
International Journal of Hydrogen Energy (2023)
Dewangan, Juhee | Mahamiya, Vikram | Shukla, Alok | Chakraborty, Brahmananda
Journal article
2023
Reversible hydrogen adsorption in Ti-functionalized porous holey graphyne: Insights from first-principles calculation
Energy Storage (2023)
Dewangan, Juhee | Mahamiya, Vikram | Shukla, Alok | Chakraborty, Brahmananda
Journal article
2023
β-Bi2O3–Bi2WO6 Nanocomposite Ornated with meso-Tetraphenylporphyrin: Interfacial Electrochemistry and Photoresponsive Detection of Nanomolar Hexavalent Cr
Inorganic Chemistry (2023)
Sunanda Pal | Vikram Mahamiya | Purbali Ray | Abhimanyu Sarkar | Farhin Sultana | Bibhutosh Adhikary | Brahmananda Chakraborty | Bibhutibhushan Show
Journal article
2022
High-capacity reversible hydrogen storage in scandium decorated holey graphyne: Theoretical perspectives
International Journal of Hydrogen Energy (2022)
Vikram Mahamiya
Journal article
2022
Remarkable enhancement in catechol sensing by the decoration of selective transition metals in biphenylene sheet: A systematic first-principles study
Journal of Physics D: Applied Physics (2022)
Vikram Mahamiya | Juhee Dewangan | Alok Shukla | Brahmananda Chakraborty
Journal article
2022
Scandium decorated C24 fullerene as high capacity reversible hydrogen storage material: Insights from density functional theory simulations
Applied Surface Science (2022)
Vikram Mahamiya
Journal article
2022
Potential reversible hydrogen storage in Li-decorated carbon allotrope PAI-Graphene: A first-principles study
International Journal of Hydrogen Energy (2022)
Vikram Mahamiya | Vikram Mahamiya | Alok Shukla | Brahmananda Chakraborty
Journal article
2022
Prediction of a novel 2D porous boron nitride material with excellent electronic, optical and catalytic properties
Physical Chemistry Chemical Physics (2022)
Vikram Mahamiya
Journal article
2022
Influence of compressive strain on the hydrogen storage capabilities of graphene: a density functional theory study
Bulletin of Materials Science (2022)
Vikram Mahamiya | Alok Shukla | Nandini Garg | Brahmananda Chakraborty
Journal article
2022
Exploring yttrium doped C24 fullerene as a high-capacity reversible hydrogen storage material: DFT investigations
Journal of Alloys and Compounds (2022)
Vikram Mahamiya
Journal article
2022
Ultrahigh reversible hydrogen storage in K and Ca decorated 4-6-8 biphenylene sheet
International Journal of Hydrogen Energy (2022)
Vikram Mahamiya
Journal article
2022
Benchmarking Gaussian Basis Sets in Quantum-Chemical Calculations of Photoabsorption Spectra of Light Atomic Clusters
ACS Omega (2022)
Vikram Mahamiya | Pritam Bhattacharyya | Alok Shukla

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