SD
Siddharth Deshpande
density functional theorychemomechanicscond-mat.mtrl-scielectron microscopyFe-N-C catalystsfuel cellslithiationlithium ion batteriesoxygen reduction reactionstress
On Valency
published · living versionsW_m2c5ccss·v1 · currentpublished
Surface Restructuring of Nickel Sulfide Generates Optimally-Coordinated Active Sites for ORR Catalysis
with Bing Yan, Dilip Krishnamurthy, Christopher H. Hendon, Yogesh Surendranath +1
1 version
Preprints & journals
12 papers in the corpus · 2017–2025Intrinsically Bifunctional and Tunable Tungsten Carbide Catalysts Enable Efficient PVC-Compatible Polyolefin Hydrocracking.41404934 · Nwachukwu, Uchenna C, Moegling, Matthew J, Perera, Sinhara M H D et al.2025 · 9 citationsJournal of the American Chemical Society. 2025;147(52):47963-47976
Site-Selective Oxide Rearrangement in a Tandem Metal-Metal Oxide Catalyst Improves Selectivity in Oxidative Dehydrogenation of Propane.41151022 · Srirangam, Snehitha, Deshpande, Siddharth2025 · 4 citationsJournal of the American Chemical Society. 2025;147(45):41727-41737
A structural similarity based data-mining algorithm for modeling multi-reactant heterogeneous catalysts.40463427 · Zeng, Jin, Gui, Jiatong, Deshpande, Siddharth2025 · 2 citationsChemical science. 2025;16(26):11918-11930
Effect of Dynamic and Preferential Decoration of Pt Catalyst Surfaces by WOx on Hydrodeoxygenation Reactions.38738663 · Marlowe, Justin, Deshpande, Siddharth, Vlachos, Dionisios G et al.2024 · 36 citationsJournal of the American Chemical Society. 2024;146(20):13862-13874
A Data and DFT-Driven Framework for Predicting the Microstructure of Submonolayer Inverse Metal Oxide on Metal Catalysts.38428034 · Deshpande, Siddharth, Vlachos, Dionisios G2024 · 10 citationsThe journal of physical chemistry letters. 2024;15(10):2715-2722
A first principles analysis of potential-dependent structural evolution of active sites in Fe-N-C catalysts.38019861 · Morankar, Ankita, Deshpande, Siddharth, Zeng, Zhenhua et al.2026 · 52 citationsProceedings of the National Academy of Sciences of the United States of America. 2023;120(49):e2308458120
Active Learning of Ternary Alloy Structures and Energies10.26434/chemrxiv-2023-xtmn0 · Gaurav Deshmukh, Noah J. Wichrowski, Nikolaos Evangelou et al.2023 · 24 citationsChemRxiv
Adsorbate chemical environment-based machine learning framework for heterogeneous catalysis.36184625 · Ghanekar, Pushkar G, Deshpande, Siddharth, Greeley, Jeffrey2026 · 143 citationsNature communications. 2022;13(1):5788
Oriented LiMn2O4 Particle Fracture from Delithiation-Driven Surface Stress.32972133 · Warburton, Robert E, Castro, Fernando C, Deshpande, Siddharth et al.2020 · 34 citationsACS applied materials & interfaces. 2020;12(43):49182-49191
In-situ structure and catalytic mechanism of NiFe and CoFe layered double hydroxides during oxygen evolution.32433529 · Dionigi, Fabio, Zeng, Zhenhua, Sinev, Ilya et al.2025 · 1,217 citationsNature communications. 2020;11(1):2522
Structural trends in the dehydrogenation selectivity of palladium alloys.34122964 · Purdy, Stephen C, Seemakurthi, Ranga Rohit, Mitchell, Garrett M et al.2021 · 47 citationsChemical science. 2020;11(19):5066-5081
Surface Restructuring of Nickel Sulfide Generates Optimally-Coordinated Active Sites for ORR Catalysis1706.04090v1 · Bing Yan, Dilip Krishnamurthy, Christopher H. Hendon et al.2017 · 136 citationsJoule, (2017) 1, 600-612on Valency
Career total: 37 works. 12 are in this corpus.
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