Publications
99
Direct CO2 Reduction to CO with an Fe4S4-Based Coordination Polymer
L. N. V. Le, A. Darù, Š. Kunstelj, A. Wuttig, L. Gagliardi, and J. S. Anderson, Direct CO2 Reduction to CO with an Fe4S4-Based Coordination Polymer, J. Am. Chem. Soc., 2026, 148, 15048–15056. DOI: 10.1021/jacs.5c23180
98
Isolated and H2-Reduced Anderson Clusters Catalyse Low-Temperature Hydrogenation of CO2 to Methanol
Q. Liu, S. M. Gulam Rabbani, Z. Hou, Z. Chen, H. Yang, W. Bi, K. W. Chapman, R. B. Getman, and J. T. Hupp, Isolated and H2-Reduced Anderson Clusters Catalyse Low-Temperature Hydrogenation of CO2 to Methanol, Nature Chemistry, 2026. DOI: 10.1038/s41557-026-02104-x
97
Nanocluster Rearrangement Forms a Family of Ordered Cerium–Titanium Bimetallic Metal–Organic Frameworks with Three Different Nodes, Nanocavities, and Thermal Stabilities
H. Wellman, Z.-M. Ye, H. Xie, M. K. Shehab, C. S. Smoljan, K. O. Kirlikovali, and O. K. Farha, Nanocluster Rearrangement Forms a Family of Ordered Cerium–Titanium Bimetallic Metal–Organic Frameworks with Three Different Nodes, Nanocavities, and Thermal Stabilities, ACS Appl. Nano Mater., 2026, 9, 4526–4534. DOI: 10.1021/acsanm.5c05480
96
Reimagining Metal-Organic Framework Discovery: Integrating Experiment, Computation, and Artificial Intelligence
M. A. Gaidimas, J. Bai, Y. Kang, K. O. Kirlikovali, V. Bernales, A. Aspuru-Guzik, and O. K. Farha, Reimagining Metal-Organic Framework Discovery: Integrating Experiment, Computation, and Artificial Intelligence, Chem, 2026, 12, 102921. DOI: 10.1016/j.chempr.2025.102921
95
Exploring Allomelanin: A Comparative Analysis Via Natural Product Extraction and Synthesis
S. Aman, L. M. Irie, S. Su, Z. E. Siwicka, J. J. La Clair, B. N. Kalaj, E. I. Latawiec, P. Karanjkar, M. R. Wasielewski, A. Dhinojwala, M. D. Burkart, O. K. Farha, and N. C. Gianneschi, Exploring Allomelanin: A Comparative Analysis Via Natural Product Extraction and Synthesis, Sci. Adv., 2026, 12, eady4848. DOI: 10.1126/sciadv.ady4848
94
Machine Learning Interatomic Potentials for Modeling Framework Flexibility and Water Uptake in NbOFFIVE-1-Ni Metal–Organic Framework
X. Wang, X. Wang, X. Zhang, Z. Li, J. Liu, F. Joodaki, K. Shi, F. Formalik, O. K. Farha, D. Kohen, R. Q. Snurr, Machine Learning Interatomic Potentials for Modeling Framework Flexibility and Water Uptake in NbOFFIVE-1-Ni Metal–Organic Framework, J. Phys. Chem. C, 2026, 130, 2833–2846. DOI: 10.1021/acs.jpcc.6c00023
93
Room-Temperature Methane Oxidation to Formaldehyde Mediated by CoMoO+ Gas-Phase Cations
L.- T. Zhang, C.-M. Sun, L.-L. Xing, D. G. Truhlar, F.‑X. Zhang, L.-R. Hu, and J.-B. Ma, Room-Temperature Methane Oxidation to Formaldehyde Mediated by CoMoO+ Gas-Phase Cations, J. Am. Chem. Soc., 2026, 148, 5693–5700. DOI: 10.1021/jacs.5c21337
92
Modulating Cu Electrode Microenvironments with MOF Coatings: Insights from Molecular Dynamics and Electrochemical Experiments of CO Reduction
M. Maurya, H. Fejzić, X. C. Krull, H. Nguyen, M. Neurock, J. T. Hupp, C. V. Amanchukwu, and R. B. Getman, Modulating Cu Electrode Microenvironments with MOF Coatings: Insights from Molecular Dynamics and Electrochemical Experiments of CO Reduction, Journal of Catalysis, 2026, 456, 116723. DOI: 10.1016/j.jcat.2026.116723
91
Oxidation, Oligomerization, Isomerization of Hydrocarbons Using Metal–Organic Frameworks
S. Lee, D. A. Grimes, M. Ahmadi Khoshooei, H. Xie, J. Notestein, M. Delferro, and O. K. Farha, Oxidation, Oligomerization, Isomerization of Hydrocarbons Using Metal–Organic Frameworks, ACS Energy Lett., 2026, 11, 1465–1476. DOI: 10.1021/acsenergylett.5c03748
90
Accelerating Catalytic Advancements Through the Precision of High-Throughput Experiments & Calculations
J. G. Vitillo, A. Aspuru-Guzik, E. Doskocil, O. K. Farha, T. Islamoglu, H. J. Kulik, P. M. Margl, S. Miller, J. Reddel, A. R. Singh, V. Bernales, Accelerating Catalytic Advancements Through the Precision of High-Throughput Experiments & Calculations, Digit. Discov., 2026, 5, 497–509. DOI: 10.1039/D5DD00524H
89
Selective Chemical Looping Combustion of Terminal Alkynes in Mixtures with Alkenes
M. Jacob, H. Nguyen, M. Neurock, and A. Bhan, Selective Chemical Looping Combustion of Terminal Alkynes in Mixtures with Alkenes, J. Am. Chem. Soc., 2026, 148, 3139–3147. DOI: 10.1021/jacs.5c16199
88
Finding the Pareto Front for High-Entropy-Alloy Catalysts
C. Zhang, R. Lu, Q. Sun, Y. Mao, T. Söhnel, Y. Zhao, D. G. Truhlar, and Z. Wang, Finding the Pareto Front for High-Entropy-Alloy Catalysts, Chem. Sci, 2026, 17, 4744-4752. DOI:10.1039/D5SC06100H
87
Hydrogenation of Ethylene over a Molybdenum–Sulfur Complex Supported on UiO-66
M. Mansoori Kermani, M. Neurock, and D. G. Truhlar, Hydrogenation of Ethylene over a Molybdenum–Sulfur Complex Supported on UiO-66, Phys. Chem. Chem. Phys., 2026, 28, 1504-1514. DOI: 10.1039/D5CP03043A
86
Torsional Flexibility Tuning of Hexa-Carboxylate Ligands to Unlock Distinct Topological Access to Zirconium Metal–Organic Frameworks
X.-J. Kong, H. Xie, J. Liu, T. He, X. Wang, K. Wang, X. Tang, B. Hou, K. O. Kirlikovali, R. Q. Snurr, and O. K. Farha, Torsional Flexibility Tuning of Hexa-Carboxylate Ligands to Unlock Distinct Topological Access to Zirconium Metal–Organic Frameworks, J. Am. Chem. Soc., 2026, 148, 3562–3569. DOI: 10.1021/jacs.5c19258
85
Extension of Solvent-Assisted Linker Exchange to Supported Metal–Organic Framework Thin Films
X. Krull, C. Tyler, M. Neurock, and J. T. Hupp, Extension of Solvent-Assisted Linker Exchange to Supported Metal–Organic Framework Thin Films, Langmuir, 2026, 42, 1877-1887. DOI: 10.1021/acs.langmuir.5c02748
84
Unlocking Liquid Chemisorption in Solid Matrices: Immobilized Deep Eutectic Solvent–ZIF-8 Composites for Next-Generation CO2 Capture
Y. Yoo, X. Wang, H. Xie, G.-H. Han, J.-Y. Song, M. A. Khoshooei, K. O. Kirlikovali, J. M. Notestein, E. H. Sargent, and O. K. Farha, Unlocking Liquid Chemisorption in Solid Matrices: Immobilized Deep Eutectic Solvent–ZIF-8 Composites for Next-Generation CO2 Capture, J. Mater. Chem. A, 2026, 14, 5816–5830. DOI: 10.1039/D5TA07025B
83
Tailoring a 3D Covalent Organic Framework Toward Facile Functionalization
S. O. Frimpong, M. Pacheco, H. Xie, A. N. Zeppuhar, O. K. Farha, M. K. Taylor, Tailoring a 3D Covalent Organic Framework Toward Facile Functionalization, Small, 2025, 22, e202511087. DOI: 10.1002/smll.202511087
82
Germanium-Organic Frameworks: Metalloid-Metalloid Bonding as A Covalent Switch for Linker Redox and Conductivity
L. H. Nguyen, M. Mandal, C. Lien, A. S. Filatov, S. Zheng, C. Deng, M. Abernathy, R. Sarangi, A. S. Kumar, J. Hofmann, K. Chapman, J. Chen, S. Patel, L. Gagliardi, and J. S. Anderson, Germanium-Organic Frameworks: Metalloid-Metalloid Bonding as A Covalent Switch for Linker Redox and Conductivity, ChemRxiv, 2025. DOI: 10.26434/chemrxiv-2025-361kl
81
Examining Metal Identity and Proximity Effects on Acetylene Hydrogenation with Azolate-Based MOFs
S. Lee, M. Ahmadi Khoshooei, X. Wang, D. A. Grimes, H. Xie, M. K. Shehab, J. S. Magdalenski, J. M. Notestein, M. Delferro, and O. K. Farha, Examining Metal Identity and Proximity Effects on Acetylene Hydrogenation with Azolate-Based MOFs, ACS Appl. Mater. Interfaces, 2025, 17, 67989–67997. DOI: 10.1021/acsami.5c18554
80
Facile Generation of Active Sites in Nodes of Ni-MFU-4l Metal–Organic Framework for Hydrogenation Reaction
M. Ahmadi Khoshooei, J. Hofmann, H. Xie, S. M. Vornholt, Y. Yoo, F. Sha, Y. Chen, K. O. Kirlikovali, K. W. Chapman, and O. K. Farha, Facile Generation of Active Sites in Nodes of Ni-MFU-4l Metal–Organic Framework for Hydrogenation Reaction, ACS Materials Lett., 2026, 8, 213–219. DOI: 10.1021/acsmaterialslett.5c01329
79
Cartesian Equivariant Representations for Learning and Understanding Molecular Orbitals
D. King, D. Grzenda, R. Zhu, N. Hudson, I. Foster, B. Cheng, and L. Gagliardi, Cartesian Equivariant Representations for Learning and Understanding Molecular Orbitals, PNAS, 2025, 122, e2510235122. DOI: 10.1073/pnas.2510235122
78
Computing Reaction Kinetics with MC-PDFT–OPESf: Combining Multireference Electronic Structure Theory and Enhanced Sampling
A. Seal, L. Gagliardi, and A. L. Ferguson, Computing Reaction Kinetics with MC-PDFT–OPESf: Combining Multireference Electronic Structure Theory and Enhanced Sampling, J. Phys. Chem. Lett., 2025, 16, 11458–11463. DOI: 10.1021/acs.jpclett.5c02966
77
Spin Glass Behavior and Giant Magnetoresistance via Aliovalent Fe/Ni Alloying in Amorphous Tetrathiafulvalene-Tetrathiolate Coordination Polymers
C. Lien, J. Chen, A. O. Schouten, G. R. Wilkinson, D. Wang, J. Hofmann, M. E. Czaikowski, B. Lavina, A. S. Filatov, K. W. Chapman, A. P. Higginbotham, D. V. Talapin, D. A. Mazziotti, H. S. La Pierre, S. N. Patel, and J. S. Anderson, Spin Glass Behavior and Giant Magnetoresistance via Aliovalent Fe/Ni Alloying in Amorphous Tetrathiafulvalene-Tetrathiolate Coordination Polymers, J. Am. Chem. Soc., 2025, 147, 39590–39598. DOI: 10.1021/jacs.5c12985
76
Customizable Aperture Geometry in Metal–Organic Frameworks for Kinetic Hydrocarbon Separation
S. Su, H. Xie, B. Hou, X. Tang, K. O. Kirlikovali, Z. Ye, N. C. Gianneschi, and O. K. Farha, Customizable Aperture Geometry in Metal–Organic Frameworks for Kinetic Hydrocarbon Separation, J. Am. Chem. Soc. 2025, 147, 38647–38656. DOI: 10.1021/jacs.5c13078
75
Electrocatalytic Hydrogenation with MOF-derived Cobalt Nanoparticles
B. Behera, X. Zheng, H. Xie, A. Darù, M. Maurya, D. Zangeneh, X. Kong, N. Lata, A. Sarkar, J. Hofmann, A. Kumar, Š. Kunstelj, J. Bryant, M. Delferro, K. Chapman, A. Wuttig, R. Klie, R. Getman, O. Farha, L. Gagliardi, and K. Glusac, Electrocatalytic Hydrogenation with MOF-derived Cobalt Nanoparticles, ChemRxiv, 2025. DOI: 10.26434/chemrxiv-2025-wnrb7
74
Intranodal Proton Hopping in Defect-Free UiO-66: Evidence from Operando NMR and ML-Accelerated Enhanced Sampling
J. Z. Hu, Y. Xu, J. S. García Sánchez, Y. Ji, J. Schmid, Y. Jin, D. J. Bazak, S. Kim, R. Kishan Motkuri, H. Wang, J. T. Hupp, K. Glusac, J. A. Lercher, J. J. de Pablo, and K. T. Mueller, Intranodal Proton Hopping in Defect-Free UiO-66: Evidence from Operando NMR and ML-Accelerated Enhanced Sampling, ChemRxiv, 2025. DOI: 10.26434/chemrxiv-2025-2fln9
73
Proton, Electron, and Hydrogen-Atom Transfer Thermodynamics of the Metal–Organic Framework, Ti-MIL-125, Are Intrinsically Correlated to the Structural Disorder
N. Gökçe Altınçekiç, C. W. Lander, J. Yu, A. Roslend, Y. Shao, and H. Noh, Proton, Electron, and Hydrogen-Atom Transfer Thermodynamics of the Metal–Organic Framework, Ti-MIL-125, Are Intrinsically Correlated to the Structural Disorder, J. Am. Chem. Soc., 2025, 147, 34777–34790. DOI: 10.1021/jacs.5c10498
72
Computational Investigation of the Impact of Metal–Organic Framework Topology on Hydrogen Storage Capacity
K. Liu, H. Chen, T. Islamoglu, A. S. Rosen, X. Wang, O. K. Farha, and R. Q. Snurr, Computational Investigation of the Impact of Metal–Organic Framework Topology on Hydrogen Storage Capacity, Mol. Syst. Des. Eng., 2025, 10, 817-835. DOI: 10.1039/D5ME00078E
71
Organophosphorus Binding Thermodynamics in Metal–Organic Frameworks: Interplay between Oxidation State, Lewis Acidity, and Node Structure
K. M. Fahy, B. Hou, P. Garg, S. Lee, C. S. Smoljan, M. K. Shehab, K. O. Kirlikovali, and O. K. Farha, Organophosphorus Binding Thermodynamics in Metal–Organic Frameworks: Interplay between Oxidation State, Lewis Acidity, and Node Structure, ACS Appl. Mater. Interfaces, 2025, 17, 39642–39651. DOI: 10.1021/acsami.5c06791
70
Reticular Structural Diversification of Zirconium Metal–Organic Frameworks Through Angular Ligand Configuration Control
X. Kong, H. Xie, T. He, J. Liu, X. Wang, Z. Cheng, K. O. Kirlikovali, Z. Ye, and O. K. Farha, Reticular Structural Diversification of Zirconium Metal–Organic Frameworks Through Angular Ligand Configuration Control, J. Am. Chem. Soc., 2025, 147, 18963–18971. DOI: 10.1021/jacs.5c03587
69
The Road Ahead for Metal–Organic Frameworks: Current Landscape, Challenges and Future Prospects
M. L. Barsoum, K. M. Fahy, W. Morris, V. P. Dravid, B. Hernandez, and O. K. Farha, The Road Ahead for Metal–Organic Frameworks: Current Landscape, Challenges and Future Prospects, ACS Nano, 2025, 19, 13–20. DOI: 10.1021/acsnano.4c14744
68
Weighted Active Space Protocol for Multireference Machine-Learned Potentials
A. Seal, S. Perego, M. R. Hennefarth, U. Raucci, L. Bonati, A. L. Ferguson, M. Parrinello, and L. Gagliardi, Weighted Active Space Protocol for Multireference Machine-Learned Potentials, PNAS, 2025, 122, e2513693122. DOI: 10.1073/pnas.2513693122
67
Modeling Oxidative Dehydrogenation of Propane with Supported Vanadia Catalysts Using Multireference Methods
M. Mandal, M. R. Hermes, F. Berger, J. Sauer, and L. Gagliardi, Modeling Oxidative Dehydrogenation of Propane with Supported Vanadia Catalysts Using Multireference Methods, J. Phys. Chem. C, 2025, 129, 14418–14429. DOI: 10.1021/acs.jpcc.5c04695
66
Enabling Ethanol Dehydrogenation Catalysis by Postsynthetic Anion Exchange of Triazolate-Based Metal–Organic Frameworks
D. A. Grimes, H. Park, C. S. Smoljan, H. Xie, J. M. Notestein, and O. K. Farha, Enabling Ethanol Dehydrogenation Catalysis by Postsynthetic Anion Exchange of Triazolate-Based Metal–Organic Frameworks, J. Am. Chem. Soc., 2025, 147, 27289–27298. DOI: 10.1021/jacs.5c02064
65
Introducing Metal–Sulfur Active Sites in Metal–Organic Frameworks Via Post-Synthetic Modification for Hydrogenation Catalysis
H. Xie, M. A. Khoshooei, M. Mandal, S. M. Vornholt, J. Hofmann, L. M. Tufaro, K. O. Kirlikovali, D. A. Grimes, S. Lee, S. Su, S. Reischauer, D. Sengupta, K. Fahy, K. Ma, X. Wang, F. Sha, W. Gong, Y. Che, J. G. Vitillo, J. S. Anderson, J. M. Notestein, K. W. Chapman, L. Gagliardi, and O. K. Farha, Introducing Metal–Sulfur Active Sites in Metal–Organic Frameworks Via Post-Synthetic Modification for Hydrogenation Catalysis, Nature Chemistry, 2025, 17, 1514–1523. DOI: 10.1038/s41557-025-01876-y
64
Impact of MOF Coatings and Electrolyte Composition on the Microenvironment of Copper Electrodes for CO Reduction
M. Maurya, H. Fejzić, X. Krull, H. Nguyen, M. Neurock, J. Hupp, C. Amanchukwu, and R. Getman, Impact of MOF Coatings and Electrolyte Composition on the Microenvironment of Copper Electrodes for CO Reduction, ChemRxiv, 2025. DOI: 10.26434/chemrxiv-2025-jrzms
63
Metal–Organic Frameworks as Catalysts for (De)Hydrogenation: Progress, Challenges, and Perspectives
D. A. Grimes, S. Lee, M. A. Khoshooei, J. M. Notestein, M. Delferro, and O. K. Farha, Metal–Organic Frameworks as Catalysts for (De)Hydrogenation: Progress, Challenges, and Perspectives, Energy Fuels, 2025, 39, 13811–13824. DOI: 10.1021/acs.energyfuels.5c00988
62
Exploring Atomic-Scale Interactions at the Interface of Reducible Oxide and Ruthenium Nanocatalyst for Ammonia Decomposition
M. Kim, H. Choi, J. Park, J. Liu, S. Kim, K. Koo, V. P. Dravid, D. Whang, S. Li, and J. T. Hupp, Exploring Atomic-Scale Interactions at the Interface of Reducible Oxide and Ruthenium Nanocatalyst for Ammonia Decomposition, ACS Materials Lett., 2025, 7, 2498–2505. DOI: 10.1021/acsmaterialslett.5c00366
61
Extreme Ultraviolet and Beyond Extreme Ultraviolet Lithography using Amorphous Zeolitic Imidazolate Resists Deposited by Atomic/Molecular Layer Deposition
K. E Waltz, X. Zhou, X. Krull, S. Singh, E. Mattson, Y. Miao, M. Hettermann, T. Grodt, Q. Zhang, H. Im, B. Lüttgenau, L. Doyle, A. Kraetz, M. Beutner, S. B. Clendenning, D. H. Fairbrother, J. T. Hupp, P. Naulleau, L. Rooney, O. Kostko, and M. Tsapatsis, Extreme Ultraviolet and Beyond Extreme Ultraviolet Lithography using Amorphous Zeolitic Imidazolate Resists Deposited by Atomic/Molecular Layer Deposition, ChemRxiv, 2025. DOI: 10.26434/chemrxiv-2025-s1n4s
60
Cross-Aldol Condensation on Missing Linker Sites of Metal–Organic Framework UiO-66
R. Zhao, T. R. Scott, J. Schmid, L. Löbbert, R. Bermejo-Deval, Y. Liu, L. Gagliardi, M. Neurock, and J. A. Lercher, Cross-Aldol Condensation on Missing Linker Sites of Metal–Organic Framework UiO-66, Journal of Catalysis, 2025, 448, 116204. DOI: 10.1016/j.jcat.2025.116204
59
Symmetry is the Key to the Design of Reticular Frameworks
A. Darù, J. Anderson, D. Proserpio, and L. Gagliardi, Symmetry is the key to the design of reticular frameworks, Adv. Mater., 2025, 2414617. DOI: 10.1002/adma.202414617
58
Structure and Synthesizability of Iron-Sulfur Metal-Organic Frameworks
J. Mao, N. Jiang, A. Darù, A.S. Filatov, J. E. Burch, J. Hofmann, S. M. Vornholt, K. W. Chapman, J. S. Anderson, and A. L. Ferguson, Structure and Synthesizability of Iron-Sulfur Metal-Organic Frameworks, J. Am. Chem. Soc., 2025, 147, 17651–17667. DOI: 10.1021/jacs.4c16341
57
Water Clustering Modulates Activity and Enables Hydrogenated Product Formation during Carbon Monoxide Electroreduction in Aprotic Media
H. Fejzić, R. J. Kumar, R. J. Gomes, L. He, T. J. Houser, J. Kim, N. Molten, and C. V. Amanchukwu, Water Clustering Modulates Activity and Enables Hydrogenated Product Formation during Carbon Monoxide Electroreduction in Aprotic Media, J. Am. Chem. Soc., 2025, 147, 18445-18459. DOI: 10.1021/jacs.4c07865
56
Metal-Organic Frameworks at the Edge of Stability: Mediating Node Distortion to Access Metastable Nanoparticle Polymorphs
Z. Chen, S. M. Vornholt, J. T. Bryant, F. Uribe-Romo, and K. W. Chapman, Metal-Organic Frameworks at the Edge of Stability: Mediating Node Distortion to Access Metastable Nanoparticle Polymorphs, Angewandte Chemie, 2025, 64, e202501813. DOI: 10.1002/anie.202501813
55
MOFA: Discovering Materials for Carbon Capture with a GenAI- and Simulation-Based Workflow
X. Yan, N. Hudson, H. Park, D. Grzenda, J. G. Pauloski, M. Schwarting, H. Pan, H. Harb, S. Foreman, C. Knight, T. Gibbs, K. Chard, S. Chaudhuri, E. Tajkhorshid, I. Foster, M. Moosavi, L. Ward, and E. A. Huerta, MOFA: Discovering Materials for Carbon Capture with a GenAI- and Simulation-Based Workflow, arXiv, 2025. DOI: 10.48550/arXiv.2501.10651
54
Versatile Sulfidation of a Metal-Organic Framework Via Heterolytic Splitting of Organo Sulfides at Distorted Zr-Nodes
Q. Wang, S. M. Vornholt, P. Melix, F. Formalik, Z. Chen, L. M. Tufaro, J. Liu, B. V. Kramar, Z. Wang, L. X. Chen, R. Q. Snurr, K. W. Chapman, J. M. Notestein, and J. T. Hupp, Versatile Sulfidation of a Metal-Organic Framework Via Heterolytic Splitting of Organo Sulfides at Distorted Zr-Nodes, ChemRxiv, 2024. DOI: 10.26434/chemrxiv-2023-z007q-v2
53
Elucidating the Geometric and Electronic Structure of a Fully Sulfided Analog of an Anderson Polyoxomolybdate Cluster
S. M. Gulam Rabbani, Z. Chen, J. Sui, J. T. Hupp, K. Chapman, and R. Getman, Elucidating the Geometric and Electronic Structure of a Fully Sulfided Analog of an Anderson Polyoxomolybdate Cluster, J. Mater. Chem. A, 2025. DOI: 10.1039/D5TA03649F
52
Low-Temperature Oxidation of Simulated Diesel Exhaust Catalyzed by Polyoxovanadate Clusters Stabilized in the Metal-Organic Framework NU-1000
Q. Liu, Z. Hou, Y. Yu, Z. Chen, Y. Huang, C. Wu, H. Yang, W. Bi, K. Chapman, and J. T. Hupp, Low-Temperature Oxidation of Simulated Diesel Exhaust Catalyzed by Polyoxovanadate Clusters Stabilized in the Metal-Organic Framework NU-1000, ChemRxiv, 2025. DOI: 10.26434/chemrxiv-2025-f87x3-v2
51
Selective Chemical Looping Combustion of Acetylene in Ethylene-Rich Streams
M. Jacob, H. Nguyen, R. Raj, J. Garcia-Barriocanal, J. Hong, J. E. Perez-Aguilar, A. S. Hoffman, K. A. Mkhoyan, S. R. Bare, M. Neurock, and A. Bhan, Selective Chemical Looping Combustion of Acetylene in Ethylene-Rich Streams, Science, 2025, 387, 744–749. DOI:10.1126/science.ads3181
50
Free-Energy Landscapes and Surface Dynamics in Methane Activation on Ni(511) via Machine Learning and Enhanced Sampling
Y. Jin, Y. Xu, J. S. García Sánchez, G. R. Pérez-Lemus, P. F. Zubieta Rico, M. Delferro, and J. J. de Pablo, Free-Energy Landscapes and Surface Dynamics in Methane Activation on Ni(511) via Machine Learning and Enhanced Sampling, ACS Catal., 2025, 15, 8931–8942. DOI: 10.1021/acscatal.5c00724