Publications

Publications at University of Tennessee, Knoxville:
(*corresponding author,#equal contribution)

17. Generalizable mechanochemical impact of curvature governing stability and reactivity at catalytic sites on rippled supports
Sayan Banerjee* and Sampad Mandal  
Phys. Chem. Chem. Phys., 2026, Advance Article






16. Sign of mechanochemical curvature governing O2 activation mechanisms and reactivity on rippled supports
Sayan Banerjee*
 RSC Mechanochem., 2026, Advance Article







Prior to University of Tennessee, Knoxville:

15. Studies of the mechanically induced reactivity of graphene with water using a 2D-materials strain reactor
Nathaniel Hawthorne, Edward J. Broker Jr, Yutian Bao, Sayan Banerjee, Quentarius Moore, Camille Cardinal, Jimmy Ha, Ulisses D. Braga, Andrew M. Rappe, James D. Batteas* 
Materials Horizons 2025, 12 (4), 1179

14. Unveiling the Electrocatalytic Hydrogen Evolution Reaction Pathway on RuP2 through Ab Initio Grand Canonical Monte Carlo
Shihan Qin, Sayan Banerjee, Mehmet Gokhan Sensoy, Andrew M. Rappe*
ACS Catalysis 2024, 14 (23), 17253

13. Discovery of wurtzite solid solutions with enhanced piezoelectric response using machine learning
Drew Behrendt, Sayan Banerjee, Jiahao Zhang, Andrew M. Rappe*
Physical Review Materials 2024, 8 (5), 055406

12. Two-Legged Molecular Walker and Curvature: Mechanochemical Ring Migration on Graphene
​Sayan Banerjee, Nathaniel Hawthorne, James D. Batteas, Andrew M. Rappe*
Journal of the American Chemical Society 2023, 145 (49), 26765

11. Relationship between the Surface Reconstruction of Nickel Phosphides and Their Activity toward the Hydrogen Evolution Reaction​
Sayan Banerjee, Arvin Kakekhani, Robert B. Wexler, Andrew M. Rappe*
ACS Catalysis 2023, 13 (7), 4611

10. High-Throughput Computational Screening of Bioinspired Dual-Atom Alloys for CO2 Activation​
Drew Behrendt#, Sayan Banerjee#, Cole Clark, Andrew M. Rappe*
Journal of the American Chemical Society 2023, 145 (8), 4730

9. Mechanochemical Molecular Motion Using Noncovalent Interactions on Graphene and Its Application to Tailoring the Adsorption Energetics​
Sayan Banerjee, Andrew M. Rappe*
ACS Materials Letters 2023, 5 (2), 574

8. Photomechanochemical control over stereoselectivity in the [2 + 2] photodimerization of acenaphthylene​
Sankarsan Biswas#, Sayan Banerjee#, Milan A. Shlain,  Andrey A. Bardin, Rein V. Ulijn, Brent L. Nannenga, Andrew M. Rappe*, Adam B. Braunschweig*
Faraday discussions 2023, 241, 266

7. Studies of the Reactivity of Graphene Driven by Mechanical Distortions
​Nathaniel Hawthorne, Sayan Banerjee, Quentarius Moore, Andrew M. Rappe, James D. Batteas*
The Journal of Physical Chemistry C 2022, 126 (41), 17569

6. Reversible Atomization and Nano-Clustering of Pt as a Strategy for Designing Ultra-Low-Metal-Loading Catalysts​
Debasish Chakraborty#, Thomas Erik Lyck Smitshuysen#, Arvin Kakekhani#, Sebastian Pirel Fredsgaard Jespersen, Sayan Banerjee, Alexander Krabbe, Nicolai Hagen, Hugo Silva, Justus Just, Christian Danvad Damsgaard, Stig Helveg, Andrew M Rappe, Jens K Nørskov*, Ib Chorkendorff*
The Journal of Physical Chemistry C 2022, 126 (38), 16194

5. Mechanochemical Molecular Migration on Graphene
Sayan Banerjee, Andrew M Rappe*
 Journal of the American Chemical Society 2022, 144 (16), 7181

4. Mechanistic Insights into CO2 Electroreduction on Ni2P: Understanding Its Selectivity toward Multicarbon Products
Sayan Banerjee, Arvin Kakekhani, Robert B Wexler, Andrew M Rappe*
ACS Catalysis 2021, 11 (18), 11706 
​
3. Unraveling the elastic properties of (quasi) two-dimensional hybrid perovskites: A joint experimental and theoretical study
Marcos A Reyes-Martinez#, Peng Tan#, Arvin Kakekhani#, Sayan Banerjee, Ayan A Zhumekenov, Wei Peng, Osman M Bakr, Andrew M Rappe*, Yueh-Lin Loo*
ACS applied materials & interfaces 2020, 12 (15), 17881

2. A unified machine-learning protocol for asymmetric catalysis as a proof of concept demonstration using asymmetric hydrogenation
Sukriti Singh#, Monika Pareek#, Avtar Changotra#, Sayan Banerjee, Bangaru Bhaskararao, P Balamurugan, Raghavan B Sunoj*
Proceedings of the National Academy of Sciences 2020, 117 (3), 1339

1. Machine learning for predicting product distributions in catalytic regioselective reactions
Sayan Banerjee, A Sreenithya, Raghavan B Sunoj*
Physical Chemistry Chemical Physics 2018, 20 (27), 18311