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2026
2026

209) K.M. Mains, C.T. Palumbo, D. Rigo, M.S. Webber, G. Rosetto, S.T. Bao, A.L. Carroll, N.R. Meyer, A.F. Benson, B.A. Boyle, S.J. Haugen, M.A. Ingraham, W.G. Alexander, M. Silberman, L.C. Meyers, K.J. Ramirez, A.M. Guss, D. Salvachua, Y. Román-Leshkov, S.S. Stahl, A.Z. Werner, G.T. Beckham

Lignin to adipic acid in a high-yield chemical and biological redox process

Nature (2026) 654: 668 [link|pdf]

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208) C. A. Ortega-Vega,  B. Liu, F. D. Eckstrom, E. R. Chokkapu, E. Y.-X. Chen, Y. Román-Leshkov, Y. J. Pagán-Torres

Triacetic acid lactone conversion to methylene-δ-caprolactone: a renewable monomer for bio-based circular polymer synthesis

Green Chemistry (2026) 28(18): 7836 [link|pdf]

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207) A. Nitsche,  H. Iriawan, X. Wang, Y. Román-Leshkov, Y. Shao-Horn 

Enhanced PFAS Defluorination through Control of Radical-
Dependent Degradation Pathways

ACS Energy Letters (2026) 11(5): 4042 [link|pdf]

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206) X. Wu, R. P. B. Ashok, X. Wang, M. S. Webber, A. E. Brenner, G. Drake, J. Miscall, C. Lincoln, E. V. Roijen, S. J. Haugen, J. S. DesVeaux,

T. Uekert, Y. Shao-Horn, S. S. Stahl, G. T. Beckham, Y. Román-Leshkov

Alcoholysis of nylon 6 waste to ε-caprolactam promoted by phosphoric acid

Chem (2026) [link|pdf]

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205) T. S. Wesley, Y. Román-Leshkov, Y. Surendranath

Electrolyte Organization Leads to Potential-Dependence in Thermochemical Catalysis of Nonpolar Reactions

ACS Catalysis (2026) 16(7): 6663 [link|pdf]

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204) M. T. Manetsch, D. W. Kastner, Y. Román-Leshkov, H. J. Kulik

pyEF: A Python Framework for QM and QM/MM Atom-Wise Electric Field Analysis

Journal of Chemical Theory and Computation (2026) 22(10): 4982 [link|pdf]

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203) G. Yadav, T. Uekert, J. S. DesVeaux, E. C. V. Roijen, J. E. Rorrer, A. E. Brenner, G. Drake, G. Zichittella, N. Carlson, Y. Román-Leshkov, G. T. Beckham

Techno-economic analysis and life cycle assessment for the catalytic hydrogenolysis and hydrocracking of polyethylene

Joule (2026) [link|pdf]

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202) J. K. Kenny, S. Schlussel, A. F. Benson, S. P. Woodworth, H. M. Alt, Y. Román-Leshkov, G. T. Beckham

1H NMR Quantification of Aromatic Monomers from Reductive Catalytic Fractionation

ACS Sustainable Chemistry & Engineering (2026) 14(8): 3778 [link|pdf]

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201) E. Pan, S. Kwon, S. Liu, M. Xie, A. J. Hoffman, Y. Duan, T. Prein, K. Sheriff, Y. Román-Leshkov, M. Moliner, R. Gómez-Bombarelli, E. A. Olivetti

DiffSyn: a generative diffusion approach to materials synthesis planning

Nature Computational Science (2026) 6: 404 [link|pdf]

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200) K. Cui, K. S. Westendorff, Y. Román-Leshkov, Y. Surendranath, S. Hammes-Schiffer.

Electrochemical Proton-Coupled Electron Transfer at a Metal–Semiconductor–Solution Interface

ACS Catalysis (2026) 16(3): 2234 [link|pdf]

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199) B. A. Johnson, J. R. Di Iorio, B. Dinakar, Y. Román-Leshkov.

Solvent Reorganization and Surface–Species Interactions Control Transfer Hydrogenation Rates in Sn-Beta Zeolites

ACS Catalysis (2026) 16(3): 2083 [link|pdf]

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198) J. He, J. Randianandraina, H. Adamji, V. Chang, Y. Lai, T.N. Nguyen, Y. Román-Leshkov, H.J. Kulik, J-H. Lee, P.J. Milner

Photochemical Fluoroalkylations with Fluorinated Gases Facilitated by a Robust Metal-Organic Framework

Journal of the American Chemical Society (2026) 148(1): 1369 [link|pdf]

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2025
2025

197) B. Dinakar, J.F. Torres, M. Dakhchoune, G. Drake, Y. Surendranath, M. Dinca, Y. Román-Leshkov

Contact with Electrically Conductive Inert Solids Alters Intrinsic Heterogenous Brønsted Acid Catalysis

Journal of the American Chemical Society (2025) 147(51): 46752 [link|pdf]

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196) R. Zhu, G. Drake, H.H. Adamji, Z.J. Berkson, J. Zhu, A.R. Head, H.J. Kulik, C. Coperet, Y. Román-Leshkov

Active Site Dynamics in Molybdenum-Based Silica-Supported Olefin Metathesis Catalysts: Site Renewal and Decay Beyond the Chauvin Cycle

Journal of the American Chemical Society (2025) 147(47): 43831 [link|pdf]

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195) T. Pokorny, R. Zhu, L. Simonikova, A. Styskalik, Y. Román-Leshkov, D. Skoda.

Electrospun Mo—SiO2 nanofibers as heterogeneous catalysts for propylene metathesis

Journal of the American Ceramic Society (2025) 109(1): e70339 [link|pdf]

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194) M. S. Webber, A. Puente-Urbina, L. C. Myers, S. P. Woodworth, E. J. Pellerin, J. H. Jang, J. R. Bussard, A. Metzger, B. S. Donohoe, M. L. Stone, D. G. Brandner, G. T. Beckham, Y. Román-Leshkov.

Lignin-Derived Phenolic Compounds and Water Are Effective Cosolvents for Reductive Catalytic Fractionation

ACS Sustainable Chemistry & Engineering (2025) 13(44): 19199 [link|pdf]

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193) D. Kiani, R. Eaglesfield, J. H. May, A. Z. Werner, E. Y.-X. Chen, Y. Román-Leshkov, Y. J. Pagán-Torres, G. T. Beckham. 

Production of bio-based lactones as monomers for a circular polymer economy

Nature Reviews Chemistry (2025) 8: 749 [link|pdf]

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192) J. Zhu, M. S. Webber, J. Watson, G. T. Beckham, Y. Román-Leshkov.

Cleavage of C–O and C–C Bonds in Lignin-Derived Compounds to Produce Aromatics Using Molybdenum-Containing MFI Zeolites

ACS Catalysis (2025) 15(17): 14782 [link|pdf]

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191) H. Xu, D. J. Zheng, S. Wang, E. Y. Zheng, Y. Zhang, T. Liu, J. Liu, D. Menga, J. Kim, J.-H. Fang, X. Wang, Z. Zhang, L. Schröck, J. Wang, S. Lee, S. Yu, H. Iriawan, G. Zhu, Y. Román-Leshkov, J. Li, Y. Shao-Horn.

Stable Metal–Organic Electrocatalysts for Anion-Exchange Membrane Water Electrolyzers by Defect Engineering

Journal of the American Chemical Society (2025) 147(33): 29838 [link|pdf]

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190) D.G. Brandner, J.G. Vitoria, J.K. Kenny, J.R. Bussard, J.H. Jang, S.P. Woodworth, K. Vanbroekhoven, Y. Román-Leshkov, G.T. Beckham.

Lignin Extraction and Condensation as a Function of Temperature, Residence Time, and Solvent System in Flow-through Reactors

ACS Sustainable Chemistry & Engineering (2025) 13(31): 12573 [link|pdf]

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189) B. Dinakar, K.S. Westendorff, J.F. Torres, M. Dakhchoune, K. Groenhout, N. Ewell, Y. Surendranath, M. Dincă, Y. Román-Leshkov.

Elucidating Electric Field-Induced Rate Promotion of Brønsted Acid-Catalyzed Alcohol Dehydration

JACS (2025) 147(31): 27599 [link|pdf]

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188) B. Dinakar, J.J. Oppenheim, M. Vandone, J.F. Torres, A. Iliescu, Z. Yang, Y. Román-Leshkov, M. Dincă. 

Asymmetric linker generates intrinsically disordered metal–organic framework with local MOF-74 structure

ChemComm (2025) 61(67): 12590 [link|pdf]

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187) A.E. Brenner, G. Drake, G.T. Beckham, Y. Román-Leshkov.

Methods for Carbon Mass Closure in Polyolefin Hydrocracking

JACS Au (2025) 5(8): 4123 [link|pdf]

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186) D.W. Kastner, C.R. Reinhardt, H. Adamji, T.S. Oscar-Okpala, I. Kevlishivili, Y. Román-Leshkov, H.J. Kulik.

The Role of the Unusual 2-Tyr-1-carboxylate Nonheme Iron Motif in the Mechanism of N,N-Dimethylformamidase

ACS Catalysis (2025) 15(15): 12822 [link|pdf]

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185) H. Xu, Y. J. Park, Z. Ren, D. J. Zheng, D. Menga, H. Jia, C. Duan, G. Zhu, Y. Román-Leshkov, Y. Shao-Horn, J. Li 

An actor-critic algorithm to maximize the power delivered from direct methanol fuel cells  

Nature Energy (2025) 10: 951 [link|pdf]

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184) M.S. Webber, Z. Yang, D.C. Bell, D.G. Brandner, J.R. Bussard, J. Watson, M.L. Stone, X. Wu, Q.S. Neuendorf, L.C. Myers, J.S. Heyne, G.T. Beckham, Y. Román-Leshkov.

Drop-in sustainable aviation fuels enabled by feedstock-agnostic lignin deoxygenation 

Cell Reports Physical Science (2025) 6(7): 102687 [link|pdf]

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183) D. Zheng, H. Iriawan, R. Pant, H. Xu, J. Peng, C. Arase, I. Takeuchi, Y. Román-Leshkov, Y. Shao-Horn.

In Situ Fluorescence Imaging of Oyxgen Evolution on Epitaxial Perovskite Films with Composition Gradients 

ACS Catalysis (2025) 15(11): 8776 [link|pdf]

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182) T. Wang, H. Iriawan, J. Peng, R. R. Rao, B. Huang, D. Zheng, D. Menga, A. Aggarwal, S. Yuan, J. Eom, Y. Zhang, K. McCormack, Y. Román-Leshkov, J. Grossman, Y. Shao-Horn.

Confined Water for Catalysis: Thermodynamic Properties and Reaction Kinetics

Chemical Reviews (2025) 125(3): 1420 [link|pdf]

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2024
2024

181) M.S. Webber, J. Watson, J. Zhu, J. H. Jang, M. ÇaÄŸlayan, J. S. Heyne, G. T. Beckham, Y. Román-Leshkov.

Lignin deoxygenation for the production of sustainable aviation fuel blendstocks

Nature Materials (2024) 23: 1622 [link|pdf]

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180) C.T. Palumbo, E.T. Ouellette, J. Zhu, Y. Román-Leshkov, S.S. Stahl, G.T. Beckham.

Accessing monomers from lignin through carbon-carbon bond cleavage

Nature Reviews Chemistry (2024) 8: 799 [link|pdf]

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179) J. Zhang, M.S. Webber, Y. Pu, Z. Li, X. Meng, M.L. Stone, B. Wei, X. Wang, S. Yuan, B. Klein, B. Seemala, C.E. Wyman, K.K. Ramasamy, M. Thorson, M.H. Langholtz, J.S. Heyne, A. Koishybay, S. Adhikari, S. Cao, A. Sutton, G.A. Tuskan, Y. Román-Leshkov, A.J. Ragauskas, T. Ling, B.H. Davison

Sustainable Aviation Fuels from Biomass and Biowaste via Bio- and Chemo-Catalytic Conversion: Catalysis, Process Challenges, and Opportunities

Green Energy & Environment (2024) 10(6): 1210 [link|pdf]

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178) A.A. Khechfe, F.D. Eckstrom, E.R. Chokkapu, L.A. Baston, B. Liu, E.Y.X. Chen, Y. Román-Leshkov

Synthesis of α-methylene-δ-valerolactone and its selective polymerization from a product mixture for concurrent separation and polymer production

Green Chemistry (2024) 26: 10463 [link|pdf]

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177) J.P. Arhancet, C.-Y. Chen, V.J. Cybulskism R. Gounder, S.B. Hong, C.W. Jones, J.H. Kang, Y. Kubota, H. Lee, M. Orazov, Y. Román-Leshkov, J.E. Schmidt

A Career in Catalysis: Mark E. Davis

ACS Catalysis (2024) 14(17): 13362 [link|pdf]

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176) J.H. Jang, J.C. Alvarez, Q.S. Neuendorf, Y. Román-Leshkov, G.T. Beckham

Reducing Solvent Consumption in Reductive Catalytic Fractionation through Lignin Oil Recycling

ACS Sustainable Chemistry & Engineering (2024) 12(34): 12919 [link|pdf]

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175) D.J. Zheng, J. Peng, K. McCormack, H. Xu, J.S. Kang, Z. Wang, Z. Ren, J. Li, Y. Román-Leshkov, Y. Shao-Horn

Uniting activity design principles of anode catalysts for direct liquid fuel cells

EES Catalysis (2024) 2(6): 1186 [link|pdf]

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174) C.R. Reinhardt, M.T. Manetsch, W.-L. Li, Y. Román-Leshkov, T. Head-Gordon, H.J. Kulik

Computational Screening of Putative Catalyst Transition Metal Complexes as Guests in a [Ga4L6]12- Nanocage

Inorganic Chemistry (2024) 63(31): 14622 [link|pdf]

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173) R.A. Dixon, A. Puente-Urbina, G.T. Beckham, Y. Román-Leshkov

Enabling Lignin Valorization Through Integrated Advances in Plant Biology and Biorefining

Annual Reviews (2024) 75: 239 [link|pdf]

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172) I. Kevlishvili, R.G. St. Michel, A. Garrison, J. Toney, H. Adamji, H.-J. Jia, Y. Román-Leshkov, H. Kulik

Leveraging natural language processing to curate the tmCAT, tmPHOTO, tmBIO, and tmSCO datasets of functional transition metal complexes

Faraday Discussions (2024) 256: 275 [link|pdf]

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171) H. Xu, D.J. Zheng, H. Iriawan, J-H. Fang, J. Kim, X. Wang, Y. Román-Leshkov, J. Li, Y. Shao-Horn

A Cobalt-Platinum-Ruthenium System for Acidic Methanol Oxidation

Chemistry of Materials (2024) 36(14): 6938 [link|pdf]

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170) J.S. Zeng, E.L. Cosner, S.P. Delgado-Kukuczka, C. Jiang, J.S. Adams, Y. Román-Leshkov, Karthish Manthiram

Electrifying Hydroformylation Catalysts Exposes Voltage-Driven C-C Bond Formation

Journal of the American Chemical Society (2024) 146(24): 16521 [link|pdf]

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169) J.K. Kenny, S.R. Neefe, D.G. Brandner, M.L. Stone, R.M. Happs, I. Kumaniaev, W.P. Mounfield III, A.E. Harman-Ware, K.M. Devos, T.H. Pendergast IV, J. Will Medlin, Y. Román-Leshkov, G.T. Beckham

Design and Validation of a High-Throughput Reductive Catalytic Fractionation Method

JACS Au (2024) 4(6): 2173 [link|pdf]

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168) Z. Wang, J.S. Kang, D. Gohl, P. Paciok, D.S. Goncalves, H.K. Lim, D. Zanchet, M. Heggen, Y. Shao-Horn, M. Ledendecker, Y. Román-Leshkov

Platinum/Tantalum Carbide Core-Shell Nanoparticles with Sub-Monolayer Shells for Methanol and Oxygen Electrocatalysis

Advanced Energy Materials (2024) 14: 2304092 [link|pdf]

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167) C.J. Wrasman, A.T. Bell, B.D. Chandler, J.W. Harris, S. Kwon, M.R. Ball, S.H. Krishna, S.J. Khatib, P. Bollini, Y. Román-Leshkov, A.B. Getsoian, R.S. Weber, J.A. Lercher, D. Liu, D.E. Resasco, J.S. Bates, J.N. Hall, E.A. Lebron-Rodriguez, L.P. Herrera, J.M. Notestein, J.A. Schaidle

Recommendations for improving rigor and reproducibility in site specific characterization

Journal of Catalysis (2024) 433: 115451 [link|pdf]

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166) S. Kwon, E. Bello-Jurado, E. Ikonnikova, H. Lee, D. Schwalbe-Koda, Avelino Corma, T. Willhammar, E.A. Olivetti, R. Gomez-Bombarelli, M. Moliner, Y. Román-Leshkov

One-Pot Synthesis of CHA/ERI-Type Zeolite Intergrowth from a Single Multiselective Organic Structure-Directing Agent

ACS Applied Material Interfaces (2024) 16(12): 14661 [link|pdf]

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165) E. Pan, S. Kwon, Z. Jensen, M. Xie, R. Gomez-Bombarelli, M. Moliner, Y. Román-Leshkov, E. Olivetti

ZeoSyn: A Comprehensive Zeolite Synthesis Dataset Enabling Machine-Learning Rationalization of Hydrothermal Parameters

ACS Central Science (2024) 10(3): 729 [link|pdf]

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164) K.S. Westendorff, M.J. Hulsey, T.S. Wesley, Y. Román-Leshkov, Y. Surendranath

Electrically driven proton transfer promotes Brønsted acid catalysis by orders of magnitude

Science (2024) 373(6684): 757 [link|pdf]

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163) H. Adamji, I. Kevlishvili, A. Nandy, Y. Román-Leshkov, H.J. Kulik

Large-scale comparison of Fe and Ru polyolefin C-H activation catalysts 

Journal of Catalysis (2024) 431: 115361 [link|pdf]

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162) K.M. Lodaya, B.Y. Tang, R.P. Bisbey, S. Weng, K.S. Westendorff, W.L. Toh, J. Ryu, Y. Román-Leshkov, Y. Surendranath

An electrochemical approach for designing thermochemical bimetallic nitrate hydrogenation catalysts 

Nature Catalysis (2024) 7: 262 [link|pdf]

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161) M. Chung, J.H. Maalouf, J.S. Adams, C. Jiang, Y. Román-Leshkov, K. Manthiram

Direct propylene epoxidation via water activation over Pd-Pt electrocatalysts 

Science (2024) 383(6678): 49 [link|pdf]

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