Sadegh Kaviani is a distinguished researcher specializing in computational materials science and physical chemistry, currently serving as a leading researcher at Kazan Federal University, Russia. He obtained his Ph.D. in Physical Chemistry from Ferdowsi University of Mashhad, Iran, where he investigated quantum mechanical aspects of nanochelators for treating iron overload disease. With a strong academic foundation including an M.Sc. in Physical Chemistry and a B.Sc. in Pure Chemistry from Islamic Azad University, North Tehran Branch, Kaviani’s research focuses on advancing theoretical understanding and practical applications of nanomaterials in energy storage and environmental remediation.
Author Metrics
Google Scholar Profile
Sadegh Kaviani has established a notable scholarly presence with numerous publications in esteemed journals such as Computational and Theoretical Chemistry, Journal of Molecular Liquids, and Journal of Power Sources. His research is widely cited, contributing significantly to the fields of computational chemistry, materials science, and nanotechnology, reflecting his expertise and impact in these areas.
- Total Citations:
- All-time: 532
- Since 2019: 517
- h-index:
- All-time: 13
- Since 2019: 13
- i10-index (number of publications with at least 10 citations):
- All-time: 22
- Since 2019: 22
These metrics indicate Sadegh Kaviani’s impact in the academic community, reflecting both the breadth of his research output and the level of citation and recognition his work has received over time, particularly since 2019.
Education
Sadegh Kaviani pursued his academic journey with a B.Sc. in Pure Chemistry and an M.Sc. in Physical Chemistry from Islamic Azad University, North Tehran Branch. He completed his Ph.D. in Physical Chemistry at Ferdowsi University of Mashhad, Iran, where his doctoral thesis focused on quantum mechanical studies of nanochelators supervised by Prof. Mohammad Izadyar.
Research Focus
Sadegh Kaviani’s research is centered on computational materials science, encompassing solid state physics, density functional theory, molecular dynamic simulations, and the development of nanomaterials. His expertise extends to 2D materials, non-covalent interactions, nonlinear optical materials, metal-ion batteries (MIBs), and hydrogen storage systems. Kaviani applies a range of software tools such as Gaussian, Materials Studio, CASTEP, Dmol3, VMD, Avogadro, Multiwfn, and VESTA in his research endeavors.
Professional Journey
Sadegh Kaviani has a diverse professional journey, including roles as a post-doctoral researcher at Ferdowsi University of Mashhad and his current position as a leading researcher at Kazan Federal University. He also completed mandatory military service in Iran, showcasing his commitment to both academic pursuits and national responsibilities.
Publications Noted & Contributions
Sadegh Kaviani has authored significant publications that advance the understanding of nanomaterials, computational chemistry, and materials science. His contributions include studies on nanomaterials for photocatalytic applications, advanced anode materials for batteries, computational modeling of hydrogen storage, and quantum mechanical investigations into drug delivery nanocarriers.
Chitosan-based adsorptive membrane modified by carboxymethyl cellulose for heavy metal ion adsorption: Experimental and density functional theory investigations
- Authors: M Khajavian, S Kaviani, I Piyanzina, DA Tayurskii, OV Nedopekin
- Journal: International Journal of Biological Macromolecules
- Volume: 257
- Pages: 128706
- Year: 2024
Zn-decorated S, P, B co-doped C2N nanosheet for ibuprofen adsorption: Experimental and density functional theory calculation
- Authors: M Khajavian, S Kaviani, I Piyanzina, DA Tayurskii, OV Nedopekin
- Journal: Colloids and Surfaces A: Physicochemical and Engineering Aspects
- Volume: 680
- Pages: 132702
- Year: 2024
Two new dichroic dyes: Quantum chemical modeling, synthesis, optical properties and their application in polarizing films
- Authors: S Shahab, H Yahyaei, M Sheikhi, L Filippovich, H Zhou, S Kaviani, …
- Journal: Journal of Molecular Structure
- Volume: 1239
- Pages: 130353
- Year: 2021
Amide-functionalized g-C3N4 nanosheet for the adsorption of arsenite (As3+): Process optimization, experimental, and density functional theory insight
- Authors: M Khajavian, S Kaviani, I Piyanzina, DA Tayurskii, OV Nedopekin, …
- Journal: Colloids and Surfaces A: Physicochemical and Engineering Aspects
- Volume: 690
- Pages: 133803
- Year: 2024
A DFT-based design of B/N/P-co-doped oxo-triarylmethyl as a robust anode material for magnesium-ion batteries
- Authors: S Kaviani, I Piyanzina, OV Nedopekin, DA Tayurskii, R Rahimi
- Journal: Journal of Power Sources
- Volume: 604
- Pages: 234425
- Year: 2024
A DFT study on the potential application of metal-encapsulated B12N12 nanocage for efficient removal of gemifloxacin in aqueous medium
- Authors: ZM Shabavi, E Shakerzadeh, T Yadav, E Tahmasebi, S Kaviani, EC Anota
- Journal: Computational and Theoretical Chemistry
- Volume: 1234
- Pages: 114535
- Year: 2024
Theoretical design of transition metal-doped oxo-triarylmethyl as a disposable platform for adsorption of ibuprofen
- Authors: S Kaviani, M Khajavian, I Piyanzina, OV Nedopekin, DA Tayurskii
- Journal: Journal of Molecular Graphics and Modelling
- Volume: 126
- Pages: 108647
- Year: 2024
These publications highlight Sadegh Kaviani’s research expertise in computational materials science, physical chemistry, and environmental applications, utilizing both experimental techniques and density functional theory (DFT) calculations.
Research Timeline
Sadegh Kaviani’s research timeline traces his academic progression through undergraduate and graduate studies to post-doctoral research and his current role as a leading researcher. His work consistently emphasizes the application of computational methods to solve critical challenges in materials science and chemistry.
Collaborations and Projects
Collaborations and specific projects led by Sadegh Kaviani are not detailed in the provided information. However, his research involves collaborations with various academic and research institutions to advance knowledge and innovation in computational materials science and physical chemistry.
