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S. Sinthika

Structural and Electronic Descriptors of Catalytic Activity of Graphene‐Based Materials: First‐Principles Theoretical Analysis
2017 · S. Sinthika, Umesh V. Waghmare, et al. · Small · 97
Doped h-BN monolayer as efficient noble metal-free catalysts for CO oxidation: the role of dopant and water in activity and catalytic de-poisoning
2014 · S. Sinthika, E. Mathan Kumar, et al. · Journal of Materials Chemistry A · 77
DFT study of NH3 adsorption on 2D monolayer MXenes (M2C, M = Cr, Fe) via oxygen functionalization: Suitable materials for gas sensors
2021 · A. Aseema Banu, S. Sinthika, et al. · FlatChem · 67
CO Oxidation Prefers the Eley–Rideal or Langmuir–Hinshelwood Pathway: Monolayer vs Thin Film of SiC
2016 · S. Sinthika, Surya Teja Vala, et al. · ACS Applied Materials & Interfaces · 56
First principles guide to tune h-BN nanostructures as superior light-element-based hydrogen storage materials: role of the bond exchange spillover mechanism
2014 · E. Mathan Kumar, S. Sinthika, et al. · Journal of Materials Chemistry A · 51
Ab Initio Study of Thin Oxide–Metal Overlayers as an Inverse Catalytic System for Dioxygen Reduction and Enhanced CO Tolerance
2014 · Dongbin Shin, S. Sinthika, et al. · ACS Catalysis · 45
Activation of CO and CO2 on homonuclear boron bonds of fullerene-like BN cages: first principles study
2015 · S. Sinthika, E. Mathan Kumar, et al. · Scientific Reports · 43
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Ring type and π electron occupancy decides the Li-ion storage properties of Phagraphene: An example of sp2 hybridized carbon structure
2017 · A. Rajkamal, S. Sinthika, et al. · Carbon · 29
Effect of Mg substitution in delafossite structured CuFeO2 thin film deposited on FTO coated glass substrate and its diode characteristics
2017 · A. Bera, K. Deb, et al. · Thin Solid Films · 29
CO oxidation on Pt based binary and ternary alloy nanocatalysts: Reaction pathways and electronic descriptor
2020 · Anjana Tripathi, Chavana Hareesh, et al. · Applied Surface Science · 27
Influence of enolate/epoxy configuration, doping and vacancy on the catalytic activity of graphene
2015 · S. Sinthika, Ranjit Thapa · RSC Advances · 24
An Eco-Friendly and Cost-Effective Strategy for the Synthesis of High-Purity MXene
2025 · Selvam Seena, Samson Susanna Victoria Backiyaleela, et al. · The Journal of Physical Chemistry C · 21
Effective solar-driven overall electrocatalytic water-splitting by Co-doped 1T/2H MoS2 nanoparticles
2025 · Praveena Gurusamy, Sundara Venkatesh Perumalsamy, et al. · International Journal of Hydrogen Energy · 18
Chemical modulation of valance band in delafossite structured CuFeO 2 thin film and its photoresponse
2018 · Arun Bera, Krishna Deb, et al. · Materials Research Express · 16
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Magnetic, elastic and optical properties of zinc peroxide (ZnO2): First principles study
2014 · Ranjit Thapa, Saurabh Ghosh, et al. · Journal of Alloys and Compounds · 14
Understanding the role of lithium bonds in doped graphene nanoribbons as cathode hosts for Li‐S batteries: A first‐principles study
2021 · Sinthika S, Pushpa Selvi M, et al. · International Journal of Energy Research · 13
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DFT and machine learning insights on the orbital dependence of single-metal sites on coordination environment for lithium-sulfur batteries
2025 · S. Susanna Victoria Backiyaleela, Rajkamal Anand, et al. · Journal of Energy Storage · 9
Colossal magnetoresistance in amino-functionalized graphene quantum dots at room temperature: manifestation of weak anti-localization and doorway to spintronics
2016 · Rajarshi Roy, Ranjit Thapa, et al. · Nanoscale · 8
Ni/Co-doped 1T/2H MoS 2 as a robust bifunctional electrocatalyst for hydrogen and oxygen evolution in both acidic and alkaline media
2026 · Praveena Gurusamy, Kannan Nagarajan, et al. · Nanoscale · 5
Lithium‐Sulfur Batteries with Triethylsulfonium Bis(trifluoromethane sulfonyl)imide Ionic Liquid During First Charge‐Discharge Cycling: EIS & DFT Study
2023 · M. Pushpa Selvi, R. Nimma Elizabeth, et al. · Batteries & Supercaps · 3
Enhanced electrochemical performance by facilitating Li-ion diffusion in LiNi 0.1 Mg x Co 0.9−x O2 (0 ≤ x ≤ 0.2) — for high energy Li-ion batteries
2020 · Arockia Shyamala Paniyarasi S., Arlyn Sneha J., et al. · Nano-Structures & Nano-Objects · 3
Heteroatom-tuned σ–π orbital reorganization enables efficient oxygen reduction and evolution of electrocatalysis beyond noble-metal catalysts
2026 · K. M. Mithra, Prakash Govindaraj, et al. · Journal of Materials Chemistry A · 2
First principle identification of SiC monolayer as an efficient catalyst for CO oxidation
2015 · S. Sinthika, C. Prakash Reddy, et al. · AIP conference proceedings · 2
Author response for "Heteroatom-Tuned σ–π Orbital Reorganization Enables Efficient Oxygen Reduction and Evolution Electrocatalysis Beyond Noble-Metal Catalysts"
2025 · K. M. Mithra, Prakash Govindaraj, et al. · Publons reviews and discussion
Carbon allotropes as supercapacitor electrodes: a DFT study
2025 · R. Lakshmi Priya, K.M. Mithra, et al. · Computational Materials Science
Works count: 26
Citation count: 672
H-index: 14
I10-index: 17
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