Past and Present Research Collaborators

External Collaborations In Abroad

1. Prof. Jaromir Habalek, Ph.D., F.EEC

Professor- Department of Microelectronics, Central European Institute of Technology, Brno, Czech Republic

2. Prof. Ing Kong, Ph.D.

Associate Professor- Department of Engineering, La Trobe University, Melbourne, Australia

3. Dr. Ravichandar Babarao, Ph.D.

Senior Lecturer- School of Science, Royal Melbourne Institute of Technology, Melbourne, Australia

4. Prof. Subhas Mukhopadhyay, Ph.D., F.IET, F.IEEE

Professor and Discipline Leader- Mechatronics Engineering, Macquarie University, Sydney, Australia

5. Dr. Sudipta Chakraborty, Ph.D.

Honorary Lecturer- School of Engineering, Macquarie University, Sydney, Australia

6. Dr. Budhaditya Majumdar, Ph.D.

Research Associate- School of Electrical Engineering and Telecommunications, New South Wales University, Sydney, Australia

External Collaborations In India

1. Prof. Sanatan Chattopadhyay, Ph.D.

Professor- Department of Electronics Science, Calcutta University, Kolkata, India

2. Dr. K. D. M. Rao, Ph.D.

Assistant Professor- School of Applied and Interdisciplinary Science, Indian Association of Cultivation of Science, Kolkata, India

3. Prof. Sandip Bhattacharya, Ph.D.

Professor and HOD- Department of Electronics and Communication Engineering, SR University, Warangal, India

4. Prof. Subhajit Das, Ph.D.

Associate Professor- Electronics and Communication Engineering, University of Engineering and Management, Kolkata, India

5. Dr. Gufran Ahmad, Ph.D.

Assistant Professor- Department of Electrical Engineering, Dayalbagh Educational Institute, Agra, India 

Internal Collaborations 

1. Prof. Sounak Roy, Ph.D., F. RSC

Professor- Department of Chemistry, BITS-Pilani, Hyderabad Campus,  India 

2. Dr. Nilanjan Dey, Ph.D.

Assistant Professor- Department of Chemistry, BITS-Pilani, Hyderabad Campus,  India  

3. Dr. Ankur Bhattacharya, Ph.D.

Assistant Professor- Department of Electrical and Engineering Engineering, BITS-Pilani, Hyderabad Campus,  India   

4. Dr. Parikshit Sahatiya, Ph.D.

Assistant Professor- Department of Electrical and Engineering Engineering, BITS-Pilani, Hyderabad Campus, India   

5. Prof. Arnab Hazra, Ph.D.

Associate Professor- Department of Electrical and Engineering Engineering, BITS-Pilani, Pilani Campus,  India 

Broad Research Areas of the Lab

As a research group, we primarily focus on the following areas:

Post-CMOS Devices for Dielectrically Modulated Bio-sensing Applications

The Metal Oxide Semiconductor Field Effect Transistor (MOSFET) based label-free bio-molecular sensor has emerged as one of the most promising candidates for point of care (POC) diagnosis applications that have opened up exciting opportunities in the field of medical biology, starting from gene sequencing to early detection of fatal diseases like cancer. Among different variants of FET-based biosensors, the recently introduced Dielectrically Modulated Field Effect Transistors (DM-FET) biosensors are drawing attention due to their capability of detecting both charged as well as charge-neutral biological species. The DM-FETs usually incorporate a nano-gap cavity either in the gate metal or in the gate-insulator region, where the appropriate bio-receptors are functionalized. Subsequently, the target bio-molecules (analyte) are introduced which conjugate with receptors and thereby change either the dielectric constant or the charge density or both within the cavity region. This alters the gating effect that leads to a modulation in the electrical characteristics of DM-MOSFET depending on the properties of the analyte/receptor binding system under question.

Driven by this paradigm, in our lab, we employ numerical device simulation and analytical modelling approaches for designing emerging post-CMOS devices like Tunnel FETs, Nanotube FETs, and Nanosheet FETs for dielectrically modulated bio-sensing applications. We emphasize the novel device design approaches with detailed electrostatic and transport analysis of the sensor devices.  

Collaborators:

Prof. Subhas Mukhopadhyay, Ph.D., F.IET, F.IEEE

Dr. Budhaditya Majumdar, Ph.D.   

Publications:

1. S. Kanungo*,  B. Majumdar, S. Mukhopadhyay, D. Som, S. Chattopadhyay, and H. Rahaman. "Investigation on the Effects of Substrate, Back-Gate Bias and Front-Gate Engineering on the Performance of DMTFET-based Biosensors". IEEE Sensors Journal, Vol. 20, Issue. 18, pp. 10405-10414 (2020). Doi: 10.1109/JSEN.2020.2994295. 

2. Jana Mukhopadhyay, B. Mazumdar, K. N. Chappanda, S. C. Mukhopadhyay, and S. Kanungo* "Performance Analysis of the Diagonal Tunneling based Dielectrically Modulated Tunnel FET for Label-free Bio-sensing Applications". IEEE Sensors Journal, Vol.21, Issue.19, pp.21643-21652(2021). Doi: 10.1109/JSEN.2021.3103998.  

3.  S. Tayal, B. Mazumdar, S. Bhattacharya, and S. Kanungo* "Performance Analysis of the Dielectrically Modulated Junction Less Nanotube Field Effect Transistor for Biomolecule Detection". IEEE Transactions on NanoBio Science, Accepted in Press (2022). Doi: 10.1109/TNB.2022.3172702.  

4. P. Joshna, S. Patel, S. Sinha, R. K. Maliidi, G. V. N. Karthik, B. Mazumdar, S. C. Mukhopadhyay, and S. Kanungo* "Investigation of Dielectrically Modulated Electron Hole Bilayer Tunnel Field Effect Transistor for Biomolecule Detection". Current Applied Physics, Vol.47, 60-71 (2023). Doi: 10.1016/j.cap.2023.01.001 

Tunnel Field Effect Transistors for Catalytic Metal Gate-Based Electrochemical Hydrogen Gas-sensing Applications

The detection and quantification of H₂ gas in low concentration is of paramount importance in various applications such as bio-medical, green energy, petroleum refinery, environmental monitoring, and public safety. In this context, the metal oxide semiconductor field-effect transistor (MOSFET) has emerged as one of the potential candidates for developing reliable and highly sensitive gas sensors, which exploit the work-function modulations of its catalytic metal gate in the presence of H₂ gas. Such sensors also offer the scope of on-chip integration, compatibility with the existing fabrication process flow, scalability, and portability. It is noteworthy to mention that for sensing applications, tunnel field-effect transistors (TFETs) are considered one of the most promising alternatives to conventional MOSFETs.

Driven by this paradigm, in our lab, we employ numerical device simulation and analytical modelling approaches for designing Tunnel FETs for label-free electrochemical gas-sensing applications. We emphasize the analysis and modelling of the underlying physics of the transduction mechanism as well as the device electrostatics and electronic carrier transport of the sensor devices.   

 Collaborators:

Dr. Budhaditya Majumdar, Ph.D. 

Publications:

1. D. Som, B. Majumdar, S. Kundu, and S. Kanungo*. "Investigation of Charge Plasma Enhanced Tunnel Field Effect Transistor for Hydrogen Gas Sensing Application". IEEE Sensors Letter, Vol. 4, Issue. 6 (2020). Doi: 10.1109/LSENS.2020.2988589. 

2. G. Bansal, A. Tiwari, B. Majumdar, S. C. Mukhopadhyay, S. Kanungo*, “Catalytic Metal-Gated Nano-Sheet Field Effect Transistor and Nano-Sheet Tunnel Field Effect Transistor Based Hydrogen Gas Sensor- A Design Perspective,” Advanced Theory and Simulations, Accepted, In Press (2024). Doi: 10.1002/adts.202301031.  

Two-dimensional Materials for Optoelectronic Applications

The two-dimensional (2D) materials of one or a few atomic layer thicknesses have attracted extensive research attention owing to their distinguishable physical and chemical properties from those of their three-dimensional or bulk counterparts. Typically, the large surface-to-volume ratio, superior electrostatic integrity, pristine surface quality, high exciton binding energy, efficient light-matter interactions, and tuneable optoelectronic properties of 2D materials are considered highly promising for electronic and optoelectronic applications.

Driven by this paradigm, in our lab, we employ the first principle calculation based on density functional theory (DFT) and molecular dynamics (MD) for exploring thermal/dynamic stabilities, structural, electronic, optoelectronic, and transport properties of emerging two-dimensional crystalline semiconductors for photodetector/phototransistor applications. In the course of this research, we are particularly enthusiastic about material systems like Natural and Janus Group VI-B Transition Metal Di-chalcogenides and Group III-A Metal Mono-chalcogenides and their van der Waals Hetero-structures.   

We also collaborate with experimental groups and complement their findings with first principle calculation-based theoretical analysis, and analyze the operation of the photodetector in correlation with material properties.

Collaborators:

Dr. Sudipta Chakraborty, Ph.D. 

Prof. Sandip Bhattacharya, Ph.D. 

Dr. Parikshit Sahatiya, Ph.D. 

Publications:

1. P. Joshna, A. Tiwari, S. Kundu, P. Sahatya, and S. 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, Vol.137, pp. 106236 (2022).  Doi: 10.1016/j.mssp.2021.106236. 

2. P. Joshna, P. P. Anand, P. Parshi, V. Jain, A. Tiwari, S. Bhattacharya, S. Chakraborty, and S. Kanungo* "Comparative Analysis of Strain Engineering on the Electronic Properties of Homogenous and Heterostructure Bilayers of MoX2 (X=S, Se, Te)". Micro and Nanostructures, Vol.168, 207334 (2022). Doi: 10.1016/j.micrna.2022.207334. 

3. N. Bahadursha, A. Tiwari, S. Chakraborty, and S. 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, Vol. 297, 127397 (2023). Doi: 10.1016/j.matchemphys.2023.127375

4. A. Tiwari, A. Sing, N. Bahadursha, S. Das, S. Chakraborty, S. 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 Material Science, Vol. 232, 112635 (2023). Doi:10.1016/j.commatsci.2023.112635. 

5. N. Bahadursha, J Palepu, A. Tiwari, S. Chakraborty, S. 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, Vol.180, pp.108538 (2024). Doi: 10.1016/j.mssp.2024.108538.

Two-dimensional Materials for Electrochemical Gas-sensing Applications

The design of miniaturized, highly sensitive, and selective gas sensors with fast response time is becoming increasingly important for environmental monitoring, pollution control, food safety, and industrial automation applications. In this context, crystalline two-dimensional (2D) materials have shown significant potential due to their extremely high surface-to-volume ratio and a large number of reactive surface sites, where a small number of gas-molecule adsorption can result in a large change in electronic conductivity. Subsequently, different 2D materials and their suitable modification techniques have been actively explored for gas sensor design.

Driven by this paradigm, in our lab, we employ the first principle calculation based on density functional theory (DFT) for exploring structural, chemical, and electronic properties of emerging two-dimensional crystalline semiconductors for gas sensing applications. In the course of this research, we are particularly enthusiastic about molecular adsorption on material systems like doped Dirac and Non-Dirac Xenes.

We also collaborate with experimental groups and complement their findings with the first principle calculation-based theoretical analysis for humidity, gas, and VOC sensor design, emphasizing the electrochemical transduction aspects.  

Collaborators:

Dr. Sudipta Chakraborty, Ph.D. 

Prof. Subhajit Das, Ph.D. 

Publications:

1. A. Tiwari, P. Joshna, A. Choudhury, S. Bhattacharya, and S. Kanungo* "Theoretical Analysis of the NH3, NO, and NO2 Adsorption on Boron-Nitrogen and Boron-Phosphorous Co-doped Monolayer Graphene - A Comparative Study". FlatChem, Vol.34, 100392 (2022). Doi: 10.1016/j.flatc.2022.100392. 

2. A. Tiwari, N, Bahadursha, P. Joshna, S. Chakraborty, and S. 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, Vol. 153, 107121 (2023). Doi: 10.1016/j.mssp.2022.107121.

3. A. Tiwari, N. Bahadursha, S. Chakraborty, S. Das, and S. Kanungo, “Carbon Monooxide Adsorption on Different Sub-Lattice Sides of Nitrogen and Phosphorous Doped and Co-Doped Germanene- A First Principle Study,” Physica E: Low-dimensional Systems and Nanostructures, Vol.151, pp. 115746 (2023). Doi: 10.1016/j.physe.2023.115746

4. A. Tiwari, A. A. Apte, S. K. Dyavadi, E. S. K. Balaji, N. Bahadursha, S. 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, Vol. 36, pp. 106627 (2023). Doi: 10.1016/j.mtcomm.2023.106627.

5. A. Tiwari, N. Bahadursha, S. Chakraborty, S. 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, Accepted, In-Press (2023). Doi:10.1088/1402-4896/ad1378. 

Nano-materials for Energy-Storage Applications 

The increasing concerns about global warming, rapidly depleting international reserves of fossil fuels, and a growing presence of portable electronics in different application areas have primarily driven the ever-increasing requirement for clean and efficient energy-storage systems. In this context, the Metal-ion battery demonstrates steadily growing commercial footprints as an efficient energy-storage element owing to its high energy density, low self-discharge property, high open-circuit voltage, and long lifespan. However, like any other energy-storage device, the performance of Metal-ion batteries also significantly depends on the material properties of their constituent elements, specifically electrodes. Some of the significant challenges involving electrode design-and thereby lifespan degradation of high-energy-density Metal-ion batteries—include damage, fracture, and diffusion-induced stress in the electrodes with theMetal-ion intercalation/de-intercalation, chemo-mechanical degradation of the electrodes, the co-existence of electrochemical reaction, and irradiation in the extreme environment leading to compromise of operational integrity of the electrodes. Therefore, a renewed research interest has been observed in enhancing the performance of Metal-ion batteries by integrating novel or emerging materials and their hybrids in the cathode and anode design.

Alternatively, supercapacitors have emerged as an attractive energy storage solution owing to their very high power density, long cycle life, and fast charge-discharge capacity. However, one of the major challenges in supercapacitor technology lies in its relatively low energy density, which is directly proportional to the specific capacitance and the square of the potential across it. Consequently, in recent times, significant research efforts have been observed toward optimizing the specific capacitance of supercapacitors. In this effect, the optimization of electrode materials is at the forefront of such research, where the designed electrodes must meet the requirements of high conductivity, temperature, and chemical stability, large specific surface area, corrosion resistance, environment-friendly, and lower cost with high total specific capacitance. 

Driven by this paradigm, in our lab, we employ the first principle calculation based on density functional theory (DFT) and molecular dynamics (MD) for exploring and engineering emerging material systems for the anode and cathode design of Metal-ion batteries, as well as an efficient electrode for electrical double layer supercapacitor. In the course of this research, we are particularly enthusiastic about material systems like Metal Phosphates and their hybrid structures for the cathode design of Metal-ion batteries, as well as two-dimensional Xenes/TMDs and their hybrid structures for the anode design of Metal-ion batteries and the electrode design of Supercapacitors.   

Collaborators:

Dr. Ankur Bhattacharjee, Ph.D. 

Publications:

1. S. Kanungo, A. Bhattacharjee, N. Bahadursha, and A. Ghosh "Comparative Analysis of LiMPO4 (M= Fe, Co, Cr, Mn, V) as Cathode Materials for Lithium-ion Battery Applications- A First Principle-based Theoretical Approach". MDPI nanomaterials, Vol. 12(19), 3266 (2022). Doi: 10.3390/nano12193266. 

2. A. Tiwari, G. Bansal, S. Jana Mukhopadhyay, A. Bhattacharjee*, S. 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, Vol. 73B, pp. 109040 (2023). Doi: 10.1016/j.est.2023.109040.

3. N. Bahadursha, G. Bansal, A. Tiwari, A. Bhattacharjee*, S. 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, Accepted, In Press (2024). Doi:10.1016/j.phise.2024.115936.

   4. A. S. Reddy, S. Bhattacharya, A. Bhattacharjee*, S. Kanungo*, “EDL Supercapacitor Electrode Performance Analysis of Group VIB and Group X Transition Metal Adsorbed and Doped Graphene- A Density Functional Theory based Comparative Investigation,” Applied Electronic Materials, Accepted, In-Press (2024). Doi: 10.1021/acsaelm.4c00906. 

Small Molecular Probe Design for Gas Sensing Applications

 The small molecules have drawn significant research interest for high-performance and low-cost optical and electrochemical gas sensor design. Contrary to nanomaterials, a small molecular probe can be easily synthesized under mild conditions from low-cost precursor materials in a controlled manner. Moreover, owing to high structural diversity with chemically tunable electronic/optical properties, these molecular probes demonstrate high sensitivity as well as selectivity steaming from their analyte-specific binding sites. Subsequently, small molecules offer substantial flexibility in molecular engineering leading to a successful synthesis of tailor-made probe molecules optimized for selective and sensitive detection of the target gas molecules.

Driven by this paradigm, in our lab, we employ the first principle calculation based on density functional theory (DFT) and molecular dynamics (MD) for exploring and designing small molecular probes for gas sensing applications.   

For this research, we collaborate with experimental groups and complement their findings with the first principle calculation-based theoretical analysis for humidity, gas, and VOC sensor design, emphasizing the electrochemical transduction and stability of adsorption aspects.  

Collaborators:

Dr. Nilanjan Dey, Ph.D. 

Dr. Parikshit Sahatiya, Ph.D. 

Publications:

1. V. Adepu, M. Tachacharya, R.S. Fernandes, A. Tiwari, S. Kanungo*, N. Dey*, and P. Sahatiya* “Perylene Diimide (PDI) based Flexible Multifunctional Sensor Design for Personal Healthcare Monitoring- A Complementary Approach Involving Experimental and Theoretical Investigation,” Advanced Materials Technologies, Vol.8 (10), 2201633 (2023). Doi:10.1002/admt.202201633 

2. A. Tiwari, R. S. Fernandes, N. Dey*, and S. Kanungo* “Site-Specific Ammonia Adsorption and Transduction on Naphthalimide Molecule- A Complementary Analysis Involving Ab-initio Calculation and Experimental Verifications,” Physical Chemistry Chemical Physics, Vol.25, pp.17021-17033 (2023). Doi: 10.1039/D3CP01373A 

3. R. S. Fernandes, A. Tiwari, S. Kanungo* and N. Dey*, “Formation of Stable Naphthalenediimide Radiacal Anion: Substituent-Directed Synergetic Effects of Hydrogen Bonding and Charge Transfer Interactions on Chromogenic Response Towards Hydrazine,” Journal of Molecular Liquids, Vol.387, pp.122238 (2023). Doi: 10.1016/j.molliq.2023.122238

4. A. Tiwari, R. S. Fernandes, N. Dey*, S. Kanungo*, “A Comparative Analysis of Hydrazine Interaction with Arylene Diimide Derivatives: Complementary Approach using First Principle Calculation and Experimental Confirmation,” Langmuir,  Early Access (2024). Doi: 10.1021/acs.langmuir.4c00331. 

Two-dimensional Materials for Nanoscale Transistors Design

The continuously intensifying demand for high-performance and miniaturized semiconductor devices has pushed the aggressive downscaling of field-effect transistors (FETs) design. However, the detrimental short-channel effects and the degradation of the sub-threshold swing (SS) in FET have led to a drastic increase in static and dynamic power consumption. The operational limit of nanoscale transistors motivates the exploration of post-CMOS devices having steeper SS and immunity toward short-channel effects. In this context, the nanoscale 2D-FET, which incorporates two-dimensional (2D) semiconductor materials as channel regions, has shown a significant performance improvement, specifically in terms of power dissipation reduction.

Driven by this paradigm, in our lab, we employ a multiscale simulation approach based on first principle (ab initio) calculation and quantum transport simulations to investigate the electrical characteristics as well as underlying physics of nanoscale transistors operating in the ballistic transport regime. We emphasize the device/material co-optimization strategies for performance optimization of such nanoscale transistors.     

Publications:

1. S. Kanungo*, G. Ahmad, P. Sahatiya, A. Mukhopadhyay, and S. Chattopadhyay "2D Materials-Based Nanoscale Tunneling Field Effect Transistors: current developments and future prospects". npj 2D Materials and Applications, Vol. 6(83), 1-29 (2022). Doi: 10.1038/s41699-022-00352-2 

Computational Infrastructure Available with the Lab

Classical/Semi-Classical Device Simulations

Synopsys Sentaurus TCAD

Analytical Modelling

MATLAB

Ab Initio Material Simulations

Synopsys QuantumWise Atomistix Tool Kit 

Vienna Ab Initio Simulation Package 

Solar Cell Simulations

Solar Cell Capacitance Simulator