Publications

1. "Optical method for quanitfying the potential of zero charge at the platinum-water electrochemical interface", P. Xu, A. D. von Reuden, R. Schimmenti, M. Mavrikakis, J. Suntivich, Nature Materials  22, 503 (2023). [DOI]
   Read a commentary on the paper by Prof. Jan Rossmeisl (København University)

2. "The role of coverage effects on the structure-sensitivity of formic acid electro-oxidation on Pd Surfaces", K. Papanikolaou, Y. Shi, R. Schimmenti, Y. Xia, M. Mavrikakis, Journal of Catalysis  417, 408 (2023). [DOI]

3. "A completely precious metal-free alkaline fuel cell  with enhanced performance using a carbon-coated nickel anode", Y. Gao, Y. Yang, R. Schimmenti, E. Murray, H. Peng, Y. Wang, C. Ge, W. Jiang,  G. Wang, F.J. DiSalvo, D. A. Muller, M. Mavrikakis, L. Xiao,  and H. D. Abruña, Proceedings of the National Academy of Sciences of the United States of America  119, e2119883119 (2022). [DOI]

4.  “Electrocatalysis in Alkaline Media and Alkaline Membrane-Based Energy Technologies”, Y. Yang, C. R. Peltier, R. Zeng, R. Schimmenti, Q. Li, X. Huang, Z. Yan, G. Potsi, R. Selhorst, X. Lu, W. Xu, M. Tader, A. V. Soudackov, H. Zhang, M. Krumov, E. Murray, P. Xu, J. Hitt, L. Xu, H. Ko, B. G. Ernst, C. Bundschu, A. Luo, D. Markovich, M. Hu, C. He, H. Wang, J. Fang, R. A. DiStasio Jr., L. F. Kourkoutis, A. Singer, K. J. T. Noonan, L. Xiao, L. Zhuang, B. S. Pivovar, P. Zelenay, E. Herrero, J. M. Feliu, J. Suntivich, E. P. Giannelis, S. Hammes-Schiffer, T. Arias, M. Mavrikakis, T. E. Mallouk, J. D. Brock, D. A. Muller, F. J. DiSalvo, G. W. Coates, and H. D. Abruña, Chemical Reviews (2022). [DOI]

5.  “Solution-Phase Synthesis of PdH0.706 Nanocubes with Enhanced Stability and Activity toward Formic Acid Oxidation”, Y. Shi*, R. Schimmenti*, S. Zhu, K. Venkatraman, R. Chen, M. Chi, M. Shao, M. Mavrikakis, and Y. Xia, Journal of the American Chemical Society  144, 2556 (2022). [DOI]

6. “Why ZnO is the Support for Cu in Methanol Synthesis? A Systematic Study of the Strong Metal Support Interactions", A.O. Elnabawy, R. Schimmenti, A. Cao, and J.K. Nørskov,  ACS Sustainable Chemistry and Engineering 10, 1722 (2022). [DOI]

7. “Mechanistic Similarities and Differences for Hydrogenation of Aromatic Heterocycles and Alyphatic Carbonyls on Sulfided Ru Nanoparticles", H. Cai, R. Schimmenti, M. V. Gradiski, R. H. Morris, M. Mavrikakis, and Y.-H.C. Chin,  ACS Catalysis 11, 12585 (2021). [DOI]

8. “HCOOH Decomposition on Sub-Nanometer Pd6 Cluster Catalysts: The Effect of Defective Boron Nitride Supports Through First Principles”, R. Schimmenti and M. Mavrikakis, Applied Catalysis B: Environmental 280, 119392 (2021). [DOI]

9. “Eliminating dissolution of platinum-based electrocatalysts at the atomic scale”, P. P. Lopes, D. Li, H. Lv, C. Wang, D. Tripkovic, Y. Zhu, R. Schimmenti, H. Daimon, Y. Kang, J. Snyder, N. Becknell, K. L. More, D. Strmcnik, N. M. Markovic, M. Mavrikakis, and V. R. Stamenkovic, Nature Materials (2020). [DOI] 

10. “Bismuthene for highly efficient carbon dioxide electroreduction reaction” F. Yang*, A. O. Elnabawy*, R. Schimmenti*, P. Song, J. Wang, Z. Peng, S. Yao, R. Deng, S. Song, Y. Lin, M. Mavrikakis, and W. Xu, Nature Communications 11, 1088 (2020). [DOI] 

11. “Mechanistic Role of the Proton-Hydride Pair in Heteroarene Catalytic Hydrogenation”, H. Cai*, R. Schimmenti*, H. Nie, M. Mavrikakis, and Y. C. Chin, ACS Catalysis 9, 9418 (2019). [DOI]

12. “DFT calculations on subnanometric metal catalysts: A short review on new supported materials”, R. Cortese, R. Schimmenti, A. Prestianni, and D. Duca, Theoretical Chemistry Accounts 137, 59 (2018). [DOI]

13. “A Combined Theoretical and Experimental Approach for Platinum Catalyzed 1,2-Propanediol Aqueous Phase Reforming”, R. Schimmenti, R. Cortese, L. Godina, A. Prestianni, F. Ferrante, D. Duca, and D. Yu. Murzin, Journal of Physical Chemistry C 121, 14636 (2017). [DOI]

14. “Boron Nitride-supported Sub-nanometer Pd6 Clusters for Formic Acid Decomposition: A DFT Study”, R. Schimmenti, R. Cortese, D. Duca, and M. Mavrikakis, ChemCatChem 9, 1610 (2017). [DOI]

15. “Graph-Based Analysis of Ethylene Glycol Decomposition on a Pd Cluster”, R. Cortese, R. Schimmenti, F. Ferrante, A. Prestianni, D. Decarolis, and D. Duca, Journal of Physical Chemistry C 121, 13606 (2017). [DOI]

16. “Density Functional Theory Investigation on the Nucleation of Homo-and Heteronuclear Metal Clusters on Defective Graphene”, F. Ferrante, A. Prestianni, R. Cortese, R. Schimmenti, and D. Duca, Journal of Physical Chemistry C 120, 12022 (2016). [DOI]

17. “α-d-Glucopyranose Adsorption on a Pd30 Cluster Supported on Boron Nitride Nanotube”, A. Prestianni, R. Cortese, F. Ferrante, R. Schimmenti, D. Duca, S. Hermans, and D. Yu. Murzin, Topics in Catalysis 59, 1178 (2016). [DOI]

18. “Growth of Sub-Nanometric Palladium Clusters on Boron Nitride Nanotubes: A DFT Study”, R. Schimmenti, R. Cortese, F. Ferrante, A. Prestianni, and D. Duca, Physical Chemistry Chemical Physics 18, 1750 (2016). [DOI]

19. “Thermodynamics of Cyclodextrin–Star Copolymer Threading–Dethreading Process”, G. Lazzara, S. Milioto, and R. Schimmenti, Journal of Thermal Analysis and Calorimetry 121, 1345 (2015). [DOI]

20. “Investigation of Polyol Adsorption on Ru, Pd, and Re Using vdW Density Functionals”, R. Cortese, R. Schimmenti, N. Armata, F. Ferrante, A. Prestianni, D. Duca, and D. Yu. Murzin, Journal of Physical Chemistry C 119, 17182 (2015). [DOI]

*These authors contributed equally