Modeling Operando Electrochemical CO2 Reduction F Dattila, RR Seemakurthi, Y Zhou, N López Chemical Reviews 122 (12), 11085-11130, 2022 | 97 | 2022 |
Structural trends in the dehydrogenation selectivity of palladium alloys SC Purdy‡, RR Seemakurthi‡, GM Mitchell, M Davidson, BA Lauderback, ... Chemical Science 11 (19), 5066-5081, 2020 | 37 | 2020 |
Identification of a selectivity descriptor for propane dehydrogenation through density functional and microkinetic analysis on pure Pd and Pd alloys RR Seemakurthi, G Canning, Z Wu, JT Miller, AK Datye, J Greeley ACS Catalysis 11 (15), 9588-9604, 2021 | 30 | 2021 |
Effect of Nickel Active Site Density on the Deactivation of Ni-Beta Zeolite Catalysts during Ethene Dimerization A Saxena, R Joshi, RR Seemakurthi, E Koninckx, LJ Broadbelt, J Greeley, ... ACS Engineering Au 2 (1), 12-16, 2021 | 11 | 2021 |
Laser-induced nitrogen fixation H Wang, RR Seemakurthi, GF Chen, V Strauss, O Savateev, G Hai, ... Nature Communications 14 (1), 5668, 2023 | 6 | 2023 |
Structure-Controlled Chemical Properties of PdZn Near-Surface Alloys CA Milligan, RR Seemakurthi, J Gao, JP Greeley, JT Miller, FH Ribeiro, ... The Journal of Physical Chemistry C 126 (32), 13660-13674, 2022 | 4 | 2022 |
A Foundational Model for Reaction Networks on Metal Surfaces S Morandi, O Loveday, T Renningholtz, S Pablo-García, ... | 1 | 2024 |
Microenvironment effects from first principles multiscale modeling of electrochemical CO2 reduction F Lorenzutti‡, RR Seemakurthi‡, E Johnson, S Morandi, P Nikacevic, ... | | 2024 |
CO2 Electroreduction to Long‐Chain Hydrocarbons on Cobalt Catalysts P Preikschas, J Zhang, RR Seemakurthi, Z Lian, AJ Martín, S Xi, ... Advanced Energy Materials, 2401447, 2024 | | 2024 |
First Principles Analysis of Trends in Propane Dehydrogenation on Bimetallic Alloys: Stability Descriptors and Catalyst Screening RR Seemakurthi, S Purdy, D Dean, F Ribeiro, JT Miller, J Greeley The 27th North American Catalysis Society Meeting, 2022 | | 2022 |
First Principles Analysis of Selectivity and Durability of Pt-Based Bimetallic Alloys for Light Alkane Dehydrogenation Y Xu, RR Seemakurthi, Z Wu, JT Miller, J Greeley The 27th North American Catalysis Society Meeting, 2022 | | 2022 |
Modeling Operando Electrochemical CO₂ Reduction F Dattila, RR Seemakurthi, Y Zhou, N López | | 2022 |
DENSITY FUNCTIONAL THEORY ANALYSIS OF CONVERSION OF LIGHT HYDROCARBONS INTO FUELS AND CHEMICALS RR Seemakurthi Purdue University Graduate School, 2021 | | 2021 |
DFT Analysis of Ethene Oligomerization on Metal Exchanged Zeolites RR Seemakurthi, A Saxena, E Koninckx, L Broadbelt, R Gounder, ... 2020 Virtual AIChE Annual Meeting, 2020 | | 2020 |
Density Functional Theory Analysis of Trends in Propane Dehydrogenation on Palladium Alloys RR Seemakurthi, S Purdy, F Ribeiro, JT Miller, J Greeley 2020 Virtual AIChE Annual Meeting, 2020 | | 2020 |
High Throughput Screening of Alloy Structures for Propane Dehydrogenation Reaction RR Seemakurthi, S Deshpande, Y Xu, F Ribeiro, JT Miller, J Greeley 2020 Virtual AIChE Annual Meeting, 2020 | | 2020 |
First Principles Analysis of Selectivity and Durability of Pt-Based Alloys for Light Alkane Dehydrogenation Y Xu, RR Seemakurthi, Z Wu, JT Miller, J Greeley 2019 AIChE Annual Meeting, 2019 | | 2019 |
Propane dehydrogenation on bimetallic alloys: selectivity descriptors and deactivation modes RR Seemakurthi, Y Xu, B Bukowski, YH Lee, E Wegener, Z Wu, J Miller, ... ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 257, 2019 | | 2019 |
Structure Sensitivity Analysis of Propane Dehydrogenation on Palladium Alloys RR Seemakurthi, FH Ribeiro, J Greeley 2019 NORTH AMERICAN CATALYSIS SOCIETY MEETING, 2019 | | 2019 |
Scaling Relationships across Chemically Related Adsorbates for Fast Screening of Alloy Catalysts for Propane Dehydrogenation AE Serban, RR Seemakurthi, BC Bukowski, J Greeley | | 2018 |