Year : 2025
Phenylalanine and Tyrosine Interactions with the WSe2 Nanosheet: A Comparative Analysis Based on DFT Calculation and Experimental Confirmation
Cite this Research Publication : Tiwari, Aditya, Harshal V. Barkale, Naga Harshini, Srilasya Chennareddy, Nilanjan Dey, and Sayan Kanungo. "Phenylalanine and Tyrosine Interactions with the WSe2 Nanosheet: A Comparative Analysis Based on DFT Calculation and Experimental Confirmation." The Journal of Physical Chemistry C (2025).
Publisher : ACS Publications
Year : 2024
Theoretical insight on the effect of middle layer specifications on electronic properties of SnS2/MX2/SnS2 Trilayer heterostructure (M = Mo, w; X = S, Se, Te)
Cite this Research Publication : Aditya Tiwari, Arunabh Singh, Naresh Bahadursha, Subhajit Das, Sudipta Chakraborty, and Sayan Kanungo. Theoretical insight on the effect of middle layer specifications on electronic properties of SnS2/MX2/SnS2 Trilayer heterostructure (M = Mo, W; X = S, Se, Te), Computational Materials Science 232, 2024.
Publisher : Elsevier
Year : 2024
Janus molybdenum di-chalcogenides based van der Waals bilayers for supercapacitor electrode design- effects of interlayer stacking orientations on quantum capacitance
Cite this Research Publication : Naresh Bahadursha, Geetika Bansal, Aditya Tiwari, Ankur Bhattacharjee, Sayan Kanungo, Janus Molybdenum Di-Chalcogenides Based van der Waals Bilayers for Supercapacitor Electrode Design- Effects of Interlayer Stacking Orientations on Quantum Capacitance, Physica E: Low-dimensional Systems and Nanostructures, 159 2024, 115936.
Publisher : Elsevier
Year : 2024
Energy band engineering in GaS/InS and GaSe/InS van der Waals bilayers by interlayer stacking design and applied vertical electric field – An ab-initio theoretical calculation based approach
Cite this Research Publication : Naresh Bahadursha, Joshna Palepu, Aditya Tiwari, Sudipta Chakraborty, and Sayan Kanungo, Energy band engineering in GaS/InS and GaSe/InS van der Waals bilayers by interlayer stacking design and applied vertical electric field - An ab-initio theoretical calculation based approach, Materials Science in Semiconductor Processing 2024.
Publisher : Elsevier
Year : 2024
Comparative Analysis of the Hydrazine Interaction with Arylene Diimide Derivatives: Complementary Approach Using First Principles Calculation and Experimental Confirmation
Cite this Research Publication : Aditya Tiwari, Rikitha S. Fernandes, Nilanjan Dey, and Sayan Kanungo, Comparative Analysis of the Hydrazine Interaction with Arylene Diimide Derivatives: Complementary Approach Using First Principles Calculation and Experimental Confirmation. Langmuir 40, 2024.
Year : 2024
Growth of Si-incorporated TiO2 thin films using Vapor–Liquid–Solid (VLS) method for room temperature CO2 sensing
Cite this Research Publication : Bodhishatwa Roy, Chirantan Das, Jay Sharma, Satyaban Bhunia, Aditya Tiwari, Sayan Kanungo, Anupam Karmakar, Sanatan Chattopadhyay, Growth of Si-incorporated TiO2 thin films using Vapor-Liquid-Solid (VLS) method for room temperature CO2 sensing, Journal of Materials Science: Materials in Electronics 35, 2024.
Publisher : Springer
Year : 2024
Perylene diimide architecture-based electromechanical sensors: a systematic experimental and theoretical framework for the comparative analysis and study of the transduction mechanism
Cite this Research Publication : Aditya Tiwari, Vivek Adepu, Rikitha S. Fernandes, Nilanjan Dey, Parikshit Sahatiya, and Sayan Kanungo, Perylene diimide architecture-based electromechanical sensors: a systematic experimental and theoretical framework for the comparative analysis and study of the transduction mechanism, Materials Advances 5, 9243-9258, 2024.
Year : 2023
Surface Engineered Phosphorene using Boron and Arsenic Doping /Co-doping for Co-optimizing the Adsorption Stability, Transduction, and Recovery of CO, NO, and SO Gases – A Density Functional Theory Perspective
Cite this Research Publication : Tiwari, Aditya, Anish Ajit Apte, Sai Kiran Dyavadi, Ethiraja Sampath Kumaran Balaji, Naresh Bahadursha, and Sayan Kanungo. "Surface engineered phosphorene using boron and arsenic doping/Co-doping for Co-optimizing the adsorption stability, transduction, and recovery of CO, NO, and SO gases–a density functional theory perspective." Materials Today Communications 36 (2023): 106627.
Publisher : Elsevier
Year : 2023
Nonequilibrium VLS-grown stable ST12-Ge thin film on Si substrate: a study on strain-induced band engineering
Cite this Research Publication : Mandal, Subrata, Basudev Nag Chowdhury, Aditya Tiwari, Sayan Kanungo, Nabakumar Rana, Aritra Banerjee, and Sanatan Chattopadhyay. "Nonequilibrium VLS-grown stable ST12-Ge thin film on Si substrate: a study on strain-induced band engineering." Journal of Materials Science 58, no. 27 (2023): 11159-11173.
Publisher : Springer
Year : 2023
Carbon monoxide Adsorption on Different Sub-lattice Sites of Nitrogen and Phosphorous Doped and Co-doped Germanene- a First Principle Study
Cite this Research Publication : Tiwari, Aditya, Naresh Bahadursha, Sudipta Chakraborty, Subhajit Das, and Sayan Kanungo. "Carbon monoxide adsorption on different sub-lattice sites of nitrogen and phosphorous doped and Co-doped germanene-a first principle study." Physica E: Low-dimensional Systems and Nanostructures 151 (2023): 115746.
Publisher : Elsevier
Year : 2023
Rags to Riches: Meliorating the Electrocatalytic Reduction of Nitrate to Ammonia over Cu-Based Nanoalloys
Cite this Research Publication : Rameshan, Reeshma, Aditya Tiwari, Sayan Kanungo, and Sounak Roy. "Rags to riches: meliorating the electrocatalytic reduction of nitrate to ammonia over Cu-based nanoalloys." Inorganic Chemistry 62, no. 25 (2023): 9934-9944.
Publisher : ACS Publications
Year : 2023
Formation of Stable Naphthalenediimide Radical Anion: Substituent-directed Synergistic Effects of Hydrogen Bonding and Charge Transfer Interactions on Chromogenic Response Towards Hydrazine
Cite this Research Publication : Fernandes, Rikitha S., Aditya Tiwari, Sayan Kanungo, and Nilanjan Dey. "Formation of stable naphthalenediimide radical anion: Substituent-directed synergistic effects of hydrogen bonding and charge transfer interactions on chromogenic response towards hydrazine." Journal of Molecular Liquids 387 (2023): 122238.
Publisher : Elsevier
Year : 2023
Perylene Diimide (PDI) based Flexible Multifunctional Sensor Design for Personal Healthcare Monitoring- A Complementary Approach Involving Experimental and Theoretical Investigations
Cite this Research Publication : Adepu, Vivek, Manav Tathacharya, Rikitha S. Fernandes, Aditya Tiwari, Sohel Siraj, Sayan Kanungo, Nilanjan Dey, and Parikshit Sahatiya. "Perylene Diimide (PDI) based Flexible Multifunctional Sensor Design for Personal Healthcare Monitoring‐A Complementary Approach Involving Experimental and Theoretical Investigations." Advanced Materials Technologies 8, no. 10 (2023): 2201633.
Publisher : Wiley Online
Year : 2023
Theoretical Investigation of the Structural and Electronic Properties of Bilayer van der Waals Heterostructure of Janus Molybdenum di-chalcogenides – Effects of Interlayer Chalcogen Pairing
Cite this Research Publication : Bahadursha, Naresh, Aditya Tiwari, Sudipta Chakraborty, and Sayan Kanungo. "Theoretical investigation of the structural and electronic properties of bilayer van der Waals heterostructure of Janus molybdenum di-chalcogenides–Effects of interlayer chalcogen pairing." Materials Chemistry and Physics 297 (2023): 127375.
Publisher : Elsevier
Year : 2023
CVD-Grown MoS2-Monolayer-Based Ultrasensitive Human Breath Sensor: Experimental and Theoretical Study
Cite this Research Publication : Polumati, Gowtham, Aditya Tiwari, Chandra Sekhar Reddy Kolli, Sayan Kanungo, Andres De Luna Bugallo, and Parikshit Sahatiya. "CVD-Grown MoS 2-Monolayer-Based Ultrasensitive Human Breath Sensor: Experimental and Theoretical Study." IEEE Sensors Letters 7, no. 2 (2023): 1-10.
Publisher : IEEE
Year : 2023
Site-Specific Ammonia Adsorption and Transduction on a Naphthalimide Derivative Molecule – a Complementary Analysis Involving ab Initio Calculation and Experimental Verification
Cite this Research Publication : Tiwari, Aditya, Rikitha S. Fernandes, Nilanjan Dey, and Sayan Kanungo. "Site-specific ammonia adsorption and transduction on a naphthalimide derivative molecule–a complementary analysis involving ab initio calculation and experimental verification." Physical Chemistry Chemical Physics 25, no. 25 (2023): 17021-17033.
Year : 2023
Comparative Analysis of Boron, Nitrogen, and Phosphorous Doping in Monolayer of Semi-metallic Xenes (Graphene, Silicene, and Germanene) – A First Principle Calculation Based Approach
Cite this Research Publication : Tiwari, Aditya, Naresh Bahadursha, Joshna Palepu, Sudipta Chakraborty, and Sayan Kanungo. "Comparative analysis of Boron, nitrogen, and phosphorous doping in monolayer of semi-metallic Xenes (Graphene, Silicene, and Germanene)-A first principle calculation based approach." Materials Science in Semiconductor Processing 153 (2023): 107121.
Publisher : Elsevier
Year : 2023
2-D Tungsten Diselenide Nanoflakes for Selective Dopamine Sensing
Cite this Research Publication : K Ramya, Aditya Tiwari, PN Sidhartha, Sayan Kanungo, and Karumbaiah N Chappanda. 2D tungsten di-selenide nano-flakes for selective dopamine sensing. IEEE Sensors Journal 23,2023, 25680. [SCI, Impact Factor: 4.30]
Publisher : IEEE
Year : 2023
Quantum capacitance engineering in boron and carbon modified monolayer phosphorene electrodes for supercapacitor application: A theoretical approach using ab-initio calculation
Cite this Research Publication : Aditya Tiwari, Geetika Bansal, Sangeeta Jana Mukhopadhyay, Ankur Bhattacharjee, and Sayan Kanungo. Quantum capacitance engineering in boron and carbon modified monolayer phosphorene electrodes for supercapacitor application: A theoretical approach using ab-initio calculation. Journal of Energy Storage 73, 2023, 109040. [SCI, Impact Factor: 8.90].
Publisher : Elsevier
Year : 2023
Influence of ‘period four’ transition metal doping in graphene on adsorption and transduction characteristics for CO gas- A detailed ab-initio perspective
Cite this Research Publication : Aditya Tiwari, Naresh Bahadursha, Sudipta Chakraborty, and Sayan Kanungo, Influence of ‘Period Four’ Transition Metal Doping in Graphene on Adsorption and Transduction Characteristics for CO Gas- A Detailed Ab-initio Perspective, Physica Scripta 99,2023, 015922 [SCI, Impact Factor: 2.90].
Year : 2022
Fluorination of 2,5-diphenyl-1,3,4-oxadiazole Enhances the Electron Transport Properties for OLED devices: a DFT Analysis
Cite this Research Publication : Tiwari, Aditya, Madan Singh Chauhan, and Dipendra Sharma. "Fluorination of 2, 5-diphenyl-1, 3, 4-oxadiazole enhances the electron transport properties for OLED devices: a DFT analysis." Phase Transitions 95, no. 12 (2022): 888-900.
Publisher : Taylor & Francis
Year : 2022
Comparative Analysis of Strain Engineering on the Electronic Properties of Homogenous and Heterostructure Bilayers of MoX2 (X = S, Se, Te)
Cite this Research Publication : Palepu, Joshna, P. Pranav Anand, Pradyumna Parshi, Vishesh Jain, Aditya Tiwari, Sandip Bhattacharya, Sudipta Chakraborty, and Sayan Kanungo. "Comparative analysis of strain engineering on the electronic properties of homogenous and heterostructure bilayers of MoX2 (X= S, Se, Te)." Micro and Nanostructures 168 (2022): 207334.
Publisher : Elsevier
Year : 2022
Theoretical Analysis of the NH3, NO, and NO2 Adsorption on Boron-Nitrogen and Boron-Phosphorous co-doped Monolayer Graphene – A Comparative Study
Cite this Research Publication : Tiwari, Aditya, Joshna Palepu, Arani Choudhury, Sandip Bhattacharya, and Sayan Kanungo. "Theoretical analysis of the NH3, NO, and NO2 adsorption on boron-nitrogen and boron-phosphorous co-doped monolayer graphene-A comparative study." FlatChem 34 (2022): 100392.
Publisher : Elsevier
Year : 2022
A Detailed Comparative Performance Analysis of the Transition Metal Di-chalcogenides (TMDs) Based Strain Sensors Through Experimental Realisations and First Principle Calculations
Cite this Research Publication : Bokka, Naveen, Vivek Adepu, Aditya Tiwari, Sayan Kanungo, and Parikshit Sahatiya. "A detailed comparative performance analysis of the Transition Metal Di-chalcogenides (TMDs) based strain sensors through experimental realisations and first principle calculations." FlatChem 32 (2022): 100344.
Publisher : Elsevier
Year : 2022
X(CH3)k+1+ superalkali cations (X = F, O and N) with methyl ligands
Cite this Research Publication : Srivastava, Ambrish Kumar, Harshita Srivastava, Aditya Tiwari, and Neeraj Misra. "X (CH3) k+ 1+ superalkali cations (X= F, O and N) with methyl ligands." Chemical Physics Letters 790 (2022): 139352.
Publisher : Elsevier
Year : 2022
Electro-optical, Electronic and Conformational Transitions of Interstellar Alkyl Molecules at Different Temperatures: An ab-initio study
Cite this Research Publication : Tiwari, Aditya, Gargi Tiwari, Rajendra Prasad, and Dipendra Sharma. "Electro-optical, electronic and conformational transitions of interstellar alkyl molecules at different temperatures: An ab-initio study." Current Research in Green and Sustainable Chemistry 5 (2022): 100235.
Publisher : Elsevier
Year : 2022
Effects of Artificial Stacking Configurations and Biaxial Strain on the Structural, Electronic and Transport Properties of Bilayer GaSe- A First Principle Study
Cite this Research Publication : Palepu, Joshna, Aditya Tiwari, Parikshit Sahatiya, Souvik Kundu, and Sayan Kanungo. "Effects of artificial stacking configurations and biaxial strain on the structural, electronic and transport properties of bilayer GaSe-A first principle study." Materials Science in Semiconductor Processing 137 (2022): 106236.
Publisher : Elsevier
Year : 2022
Impact of Diff Impact of Different Anode Materials on P ent Anode Materials on Performance of Or formance of Organic Light Emitting Diodes
Cite this Research Publication : Tiwari, Aditya, and Brijesh Kumar. "Impact of different anode materials on performance of organic light emitting diodes." Int. J. Thin. Film. Sci. Tec. 11, no. 2 (2022): 207-211.