Publications

Publications at University of Tennessee, Knoxville:

****coming soon****

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 
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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