PUBLICATIONS

Journal Articles

2024

[29] M. Zheng and B.C. Bukowski*, “Probing the role of acid site distribution on water structure in aluminosilicate zeolites: insights from molecular dynamics”, J. Phys. Chem. C, 2024.

2023

[28] R. Wang†, B.C. Bukowski†,*, J. Duan, K. Zhang, R.Q. Snurr*, J. Hupp*, “Geometry and chemistry: Influence of pore functionalization on molecular transport and diffusion in solvent-filled zirconium metal-organic frameworks”, ACS Applied Materials and Interfaces, 2023. [link]

[27] R.A. Jarrin, K. Bennett, V.S. Thoi, B.C. Bukowski*, “Cations mediate lithium polysulfide adsorption in metal-organic framework coatings for lithium-sulfur batteries”, J. Phys. Chem. C. 2023. [link]

[26] Y. Xu, M. Zheng, C.B. Musgrave III, L. Zhang, W.A. Goddard III, B.C. Bukowski, Y. Liu*, “Assessing the kinetics of quinone-CO2 adduct formation for electrochemically mediated carbon capture”, ACS Sustainable Chemistry & Engineering, 11, 30, 11333-11341, 2023. [link]

[25] A. Yang†, B.C. Bukowski†, D.M. Anstine, C.M Colina*, R.Q. Snurr*, W.R. Dichtel*, “Defect engineering of porous aromatic frameworks via end capping improves dioxane removal from water”, Matter, 6, 7, 2263-2273, 2023. [link]

[24] D. Wang, Z. Li, T-Y. Luo, M.B. Schmithorst, S. Park, W. Xu, Y. Miao, K. Gawande, C. Tang, B.C. Bukowski, B.F. Chmelka, D.H. Fairbrother, E. Kokkoli*, M. Tsapatsis*, “Enantioselective catalysts based on metal-organic framework-supported nucleotides”, Microporous and Mesoporous Materials, 360, 112703, 2023. [link] [preprint link]

[23] B.C. Bukowski†, S.C. Purdy†, E.C. Wegener, Z. Wu, A.J. Kropf, G. Zhang, J.T. Miller*, J. Greeley*, “Intermetallic alloy structure-activity descriptors derived from inelastic X-ray scattering”, Physical Chemistry Chemical Physics, 25, 16, 11216-11226, 2023. [link]

2022

[22] B.C. Bukowski and R. Q. Snurr*, “Insights and Heuristics for Predicting Diffusion Rates of Chemical Warfare Agents in Zirconium Metal-Organic Frameworks”, ACS Applied Materials & Interfaces, 14, 50, 55608-55615, 2022. [link]

[21] S. Banerjee, X. Han, M.A. Siegler, E.M. Miller, N.M. Bedford, B.C. Bukowski, V.S. Thoi*, “Flexible 2D boron imidazolate framework for polysulfide adsorption in lithium-sulfur batteries”, Chemistry of Materials, 34, 23, 10451-10458, 2022. [link]

[20] B.C. Bukowski†, F.A. Son†, Y. Yongwei, L. Robison, T. Islamoglu, R. Q. Snurr*, O.K. Farha*, “Insights into mass transfer barriers in metal-organic frameworks”, Chemistry of Materials, 34, 9, 4134-4141, 2022. [link]

2021

[19] F.A. Son^†, B.C. Bukowski^†, T. Islamoglu, R. Q. Snurr*, O.K. Farha*, “Rapid Quantification of Mass Transfer Barriers in Metal-Organic Framework Crystals”, Chemistry of Materials, 33, 9093-9100, 2021. [link]

[18] C.H. Sharp, B.C. Bukowski, H. Li, E.M. Johnson, S. Ilic, A.J. Morris, D. Gersappe, R.Q. Snurr, R.J. Morris*, “Nanoconfinement and mass transport in metal—organic frameworks”, Chemical Society Reviews, 50, 11530-11558, 2021. [link]

[17] R. Wang^†, B.C. Bukowski^†, J. Duan, J. Sui, R.Q. Snurr*, J.T. Hupp*, “Art of Architecture: Efficient Transport through Solvent-Filled Metal—Organic Frameworks Regulated by Topology”, Chemistry of Materials, 33 (17), 6832-6840, 2021. [link]

[16] B.C. Bukowski*, F.J. Keil*, P.I. Ravikovitch*, G. Sastre*, R.Q. Snurr*, M-O. Coppens*, “Connecting Theory and Simulation with Experiment for the Study of Diffusion in Nanoporous Solids”, Adsorption, 27, 683-760, 2021. [link]

[15] B.C. Bukowski*, W.N. Delgass, J. Greeley, “Gold Stability and Diffusion in the Au/TS-1 Catalyst”, The Journal of Physical Chemistry C, 125 (8), 4519-4531, 2021. [link]

2020

[14] B.C. Bukowski and R.Q. Snurr*, “Topology-dependent alkane diffusion in zirconium metal-organic frameworks”, ACS Applied Materials and Interfaces, 12 (50), 56049-56059, 2020. [link]

[13] R. Wang, B.C. Bukowski, J. Duan, T. Sheridan, A. Atilgan, K, Zhang, R.Q. Snurr*, J.T. Hupp*, “Investigating the Process and Mechanism of Molecular Transport within a Representative Solvent-filled Metal–Organic Framework “, Langmuir, 36 (36), 10853-10859, 2020. [link]

[12] J.W. Harris*, J.S. Bates, B.C. Bukowski, J. Greeley, R. Gounder, “Opportunities in Catalysis over Metal-Zeotypes Enabled by Descriptions of Active Centers Beyond their Binding Site”, ACS Catalysis, 10 (16) 9476-9495, 2020. [link]

[11] J.S. Bates^† and B.C. Bukowski^†, J.P Greeley*, R. Gounder*, “Structure and Solvation of Confined Water and Water-Alkanol Clusters within Microporous Brønsted Acids and their Effects on Alkanol Dehydration Catalysis”, Chemical Science 11 (27), 7102-7122, 2020. [link]

2019

[10] E.C. Wegener, B.C. Bukowski, D. Yang, Z. Wu, A.J. Kropf, W.N. Delgass, J.P. Greeley, G. Zhang*, J.T. Miller*, Intermetallic Compounds as an Alternative to Single-Atom Alloy Catalysts: Geometric and Electronic Structures from Advanced X-ray Spectroscopies and Computational Studies”, Chem Cat Chem 12 (5) 1325-1333, 2019. [link]

[9] B.C. Bukowski, J.S. Bates, R. Gounder, J. Greeley*, “Defect-Mediated Ordering of Condensed Water Structures in Microporous Zeolites”, Angewandte Chemie International Edition 58 (46), 16422-16426, 2019. [link]

[8] J.S. Bates, B.C. Bukowski, J.W. Harris, J.P. Greeley, R. Gounder*, “Distinct Catalytic Reactivity of Sn Substituted in Framework Locations and at Defect Grain Boundaries in Sn-Zeolites”, ACS Catalysis 9 (7) 6146-6168, 2019. [link]

[7] D. T. Bregante, A.M. Johnson, A.Y. Patel, E.Z. Ayla, M.J. Cordon, B.C. Bukowski, J. Greeley, R. Gounder, D.W. Flaherty*, “Cooperative Effects between Hydrophilic Pores and Solvents: Catalytic Consequences of Hydrogen Bonding on Alkene Epoxidation in Zeolites”, Journal of the American Chemical Society 141 (18), 7302-7319, 2019. [link]

2015-2018

[6] Z. Wu, B.C. Bukowski, Z, Li, C. Milligan, L. Zhou, T. Ma, Y. Wu, Y. Ren, F.H. Ribeiro, W.N. Delgass, J. Greeley, G. Zhang*, J. Miller*, “Changes in Catalytic and Adsorptive Properties of 2 nm Pt₃Mn Nanoparticles by Subsurface Atoms”, Journal of the American Chemical Society 140 (44), 14870-14877, 2018. [link]

[5] B.C. Bukowski, J. Bates, R. Gounder, J. Greeley*, “First Principles, Microkinetic, and Experimental Analysis of Lewis Acid Site Speciation During Ethanol Dehydration on Sn-Beta Zeolites”, Journal of Catalysis 365, 261-276, 2018. [link]

[4] V.J. Cybulskis, B.C. Bukowski, H.T. Tseng, J.R. Gallagher, Z. Wu, E. Wegener, A.J. Kropf, B. Ravel, F.H. Ribeiro, J. Greeley*, J.T. Miller*, “Zinc Promotion of Platinum for Catalytic Light Alkane Dehydrogenation: Insights into Geometric and Electronic Effects”, ACS Catalysis 7 (6) 4173-4181, 2017. [link]

[3] B.C. Bukowski, J. Greeley*, “Scaling relationships for molecular adsorption and dissociation in Lewis acid zeolites”, The Journal of Physical Chemistry C 120 (12), 6714-6722, 2016. [link]

[2] B. Bukowski, N.A. Deskins*, “The interactions between TiO₂ and graphene with surface inhomogeneity determined using density functional theory” Physical Chemistry Chemical Physics 17 (44), 29734-29746, 2015. [link]

[1] Z. Zhu, B. Bukowski, N.A. Deskins, H.S. Zhou*, “Bamboo shaped carbon nanotube supported platinum electrocatalyst synthesized by high power ultrasonic-assisted impregnation method for methanol electrooxidation and related density functional theory calculations”, International Journal of Hydrogen Energy 40 (5), 2216-2224, 2015. [link]